K263-0768 Screening compound: 3-(2-chlorobenzyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0768 Screening compound: 3-(2-chlorobenzyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0768 Screening compound: 3-(2-chlorobenzyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0768
3-(2-chlorobenzyl)-2-{[2-(3,4-dihydroxyphenyl)-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

K263-0768

Molecular Formula

C25H17ClN2O4S2 (C25 H17 ClN2 O4 S2)

Compound Name

3-(2-chlorobenzyl)-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(2-chlorophenyl)methyl]-4-{[2-(34-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Oc(ccc(C(CSC(N(Cc(cccc1)c1Cl)C1=O)=Nc2c1sc1c2cccc1)=O)c1)c1O

InChI

InChI=1S/C25H17ClN2O4S2/c26-17-7-3-1-5-15(17)12-28-24(32)23-22(16-6-2-4-8-21(16)34-23)27-25(28)33-13-20(31)14-9-10-18(29)19(30)11-14/h1-11,29-30H,12-13H2

InChI Key

BGTDUIOTCYNODR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.61

Polar Surface Area

70.609

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

K263-0768 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Hsp90-Targeted Library (11355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K263-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0768?
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What is the minimum amount of K263-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0768
  • 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 K263-0768 available by request