K263-0412 Screening compound: 3-(3,4-dimethoxyphenethyl)-2-({2-[3-(2-methoxyacetyl)piperidino]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0412 Screening compound: 3-(3,4-dimethoxyphenethyl)-2-({2-[3-(2-methoxyacetyl)piperidino]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0412 Screening compound: 3-(3,4-dimethoxyphenethyl)-2-({2-[3-(2-methoxyacetyl)piperidino]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0412
3-(3,4-dimethoxyphenethyl)-2-({2-[3-(2-methoxyacetyl)piperidino]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

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

K263-0412

Molecular Formula

C30H33N3O6S2 (C30 H33 N3 O6 S2)

Compound Name

3-(3,4-dimethoxyphenethyl)-2-({2-[3-(2-methoxyacetyl)piperidino]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[2-(34-dimethoxyphenyl)ethyl]-4-({2-[3-(2-methoxyacetyl)piperidin-1-yl]-2-oxoethyl}sulfanyl)-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

COCC(C(CCC1)CN1C(CSC(N(CCc(cc1)cc(OC)c1OC)C1=O)=Nc2c1sc1c2cccc1)=O)=O

InChI

InChI=1S/C30H33N3O6S2/c1-37-17-22(34)20-7-6-13-32(16-20)26(35)18-40-30-31-27-21-8-4-5-9-25(21)41-28(27)29(36)33(30)14-12-19-10-11-23(38-2)24(15-19)39-3/h4-5,8-11,15,20H,6-7,12-14,16-18H2,1-3H3/t20-/m0/s1

InChI Key

QIJKYIQHDCWCKK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15085457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.90

Polar Surface Area

77.502

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K263-0412 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K263-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0412?
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What is the minimum amount of K263-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0412
  • 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 K263-0412 available by request