K263-0398 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

K263-0398 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
K263-0398 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0398
N~1~-(3,4-dimethoxyphenethyl)-2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K263-0398

Molecular Formula

C32H33N3O6S2 (C32 H33 N3 O6 S2)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({5-[2-(34-dimethoxyphenyl)ethyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetamide

SMILES

COc(ccc(CCNC(CSC(N(CCc(cc1)cc(OC)c1OC)C1=O)=Nc2c1sc1c2cccc1)=O)c1)c1OC

InChI

InChI=1S/C32H33N3O6S2/c1-38-23-11-9-20(17-25(23)40-3)13-15-33-28(36)19-42-32-34-29-22-7-5-6-8-27(22)43-30(29)31(37)35(32)16-14-21-10-12-24(39-2)26(18-21)41-4/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,36)

InChI Key

DCTJCDOORFKGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.28

Polar Surface Area

79.079

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

K263-0398 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K263-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0398?
Check Price and Availability of K263-0398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K263-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0398
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K263-0398 available by request