K263-0696 Screening compound: 3-cyclohexyl-2-[(2-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0696 Screening compound: 3-cyclohexyl-2-[(2-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0696 Screening compound: 3-cyclohexyl-2-[(2-methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0696
3-cyclohexyl-2-[(2-methylbenzyl)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

K263-0696

Molecular Formula

C24H24N2OS2 (C24 H24 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N(C2CCCCC2)C2=O)=Nc3c2sc2c3cccc2)cccc1

InChI

InChI=1S/C24H24N2OS2/c1-16-9-5-6-10-17(16)15-28-24-25-21-19-13-7-8-14-20(19)29-22(21)23(27)26(24)18-11-3-2-4-12-18/h5-10,13-14,18H,2-4,11-12,15H2,1H3

InChI Key

CHWCYSRBLKETPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

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

6.972

Distribution Coefficient, logD

6.972

Water Solubility, LogSw

-5.81

Polar Surface Area

23.487

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K263-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0696?
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What is the minimum amount of K263-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0696
  • 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 K263-0696 available by request