K263-0394 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylbenzyl)acetamide

K263-0394 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylbenzyl)acetamide
K263-0394 Screening compound: 2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0394
2-{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylbenzyl)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

K263-0394

Molecular Formula

C30H29N3O4S2 (C30 H29 N3 O4 S2)

Compound Name

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

IUPAC name

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)-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSC(N(CCc(cc2)cc(OC)c2OC)C2=O)=Nc3c2sc2c3cccc2)=O)cc1

InChI

InChI=1S/C30H29N3O4S2/c1-19-8-10-21(11-9-19)17-31-26(34)18-38-30-32-27-22-6-4-5-7-25(22)39-28(27)29(35)33(30)15-14-20-12-13-23(36-2)24(16-20)37-3/h4-13,16H,14-15,17-18H2,1-3H3,(H,31,34)

InChI Key

FSSKHPUSTBFAKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.26

Polar Surface Area

63.976

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

K263-0394 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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 K263-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0394?
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What is the minimum amount of K263-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0394
  • 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 K263-0394 available by request