K263-0486 Screening compound: N~1~-(4-ethylphenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

K263-0486 Screening compound: N~1~-(4-ethylphenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
K263-0486 Screening compound: N~1~-(4-ethylphenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0486
N~1~-(4-ethylphenyl)-2-{[3-(3-isopropoxypropyl)-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

K263-0486

Molecular Formula

C26H29N3O3S2 (C26 H29 N3 O3 S2)

Compound Name

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

IUPAC name

N-(4-ethylphenyl)-2-({6-oxo-5-[3-(propan-2-yloxy)propyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC(N(CCCOC(C)C)C1=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C26H29N3O3S2/c1-4-18-10-12-19(13-11-18)27-22(30)16-33-26-28-23-20-8-5-6-9-21(20)34-24(23)25(31)29(26)14-7-15-32-17(2)3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,27,30)

InChI Key

AJYIULBJYWYAIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.535

Water Solubility, LogSw

-5.46

Polar Surface Area

54.866

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

K263-0486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K263-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0486?
Check Price and Availability of K263-0486, 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 K263-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0486
  • 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 K263-0486 available by request