K263-0787 Screening compound: 2-[(2,4-dimethylbenzyl)sulfanyl]-3-(3-pyridylmethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0787 Screening compound: 2-[(2,4-dimethylbenzyl)sulfanyl]-3-(3-pyridylmethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0787 Screening compound: 2-[(2,4-dimethylbenzyl)sulfanyl]-3-(3-pyridylmethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0787
2-[(2,4-dimethylbenzyl)sulfanyl]-3-(3-pyridylmethyl)[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

K263-0787

Molecular Formula

C25H21N3OS2 (C25 H21 N3 OS2)

Compound Name

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

IUPAC name

4-{[(24-dimethylphenyl)methyl]sulfanyl}-5-[(pyridin-3-yl)methyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1cc(C)c(CSC(N(Cc2cnccc2)C2=O)=Nc3c2sc2c3cccc2)cc1

InChI

InChI=1S/C25H21N3OS2/c1-16-9-10-19(17(2)12-16)15-30-25-27-22-20-7-3-4-8-21(20)31-23(22)24(29)28(25)14-18-6-5-11-26-13-18/h3-13H,14-15H2,1-2H3

InChI Key

DMGHGIJPPHYTPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.915

Distribution Coefficient, logD

5.915

Water Solubility, LogSw

-5.41

Polar Surface Area

33.784

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K263-0787 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0787?
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What is the minimum amount of K263-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0787
  • 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 K263-0787 available by request