K263-0363 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

K263-0363 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
K263-0363 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0363
N~1~-(3,4-dimethoxyphenethyl)-2-[(4-oxo-3-phenethyl-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

K263-0363

Molecular Formula

C30H29N3O4S2 (C30 H29 N3 O4 S2)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{[6-oxo-5-(2-phenylethyl)-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(CCc1ccccc1)C1=O)=Nc2c1sc1c2cccc1)=O)c1)c1OC

InChI

InChI=1S/C30H29N3O4S2/c1-36-23-13-12-21(18-24(23)37-2)14-16-31-26(34)19-38-30-32-27-22-10-6-7-11-25(22)39-28(27)29(35)33(30)17-15-20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,31,34)

InChI Key

UNVCZHMTCOAXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085409

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

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.38

Polar Surface Area

63.818

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

K263-0363 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 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

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

References: we are preparing a list of scientific research reports with K263-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0363?
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What is the minimum amount of K263-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0363
  • 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 K263-0363 available by request