K263-0693 Screening compound: 2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0693 Screening compound: 2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0693 Screening compound: 2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0693
2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[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

K263-0693

Molecular Formula

C23H21ClN2OS2 (C23 H21 ClN2 OS2)

Compound Name

2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

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

SMILES

O=C1N(C2CCCCC2)C(SCc(cccc2)c2Cl)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C23H21ClN2OS2/c24-18-12-6-4-8-15(18)14-28-23-25-20-17-11-5-7-13-19(17)29-21(20)22(27)26(23)16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2

InChI Key

XTRAGAIWUULGJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.831

Distribution Coefficient, logD

6.831

Water Solubility, LogSw

-6.44

Polar Surface Area

23.487

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K263-0693 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0693?
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What is the minimum amount of K263-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0693
  • 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 K263-0693 available by request