K263-0635 Screening compound: 2-[(3-chlorobenzyl)sulfanyl]-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0635 Screening compound: 2-[(3-chlorobenzyl)sulfanyl]-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0635 Screening compound: 2-[(3-chlorobenzyl)sulfanyl]-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0635
2-[(3-chlorobenzyl)sulfanyl]-3-[2-(1H-indol-3-yl)ethyl][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

K263-0635

Molecular Formula

C27H20ClN3OS2 (C27 H20 ClN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(CCc2c[nH]c3c2cccc3)C(SCc2cccc(Cl)c2)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C27H20ClN3OS2/c28-19-7-5-6-17(14-19)16-33-27-30-24-21-9-2-4-11-23(21)34-25(24)26(32)31(27)13-12-18-15-29-22-10-3-1-8-20(18)22/h1-11,14-15,29H,12-13,16H2

InChI Key

AOODPCKJAVVDBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.995

Distribution Coefficient, logD

6.995

Water Solubility, LogSw

-6.50

Polar Surface Area

34.115

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K263-0635 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 K263-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0635?
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What is the minimum amount of K263-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0635
  • 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 K263-0635 available by request