K263-0745 Screening compound: 2-({[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

K263-0745 Screening compound: 2-({[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
K263-0745 Screening compound: 2-({[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0745
2-({[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

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

K263-0745

Molecular Formula

C25H16ClN3OS2 (C25 H16 ClN3 OS2)

Compound Name

2-({[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

IUPAC name

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

SMILES

N#Cc1c(CSC(N(Cc(cccc2)c2Cl)C2=O)=Nc3c2sc2c3cccc2)cccc1

InChI

InChI=1S/C25H16ClN3OS2/c26-20-11-5-3-8-17(20)14-29-24(30)23-22(19-10-4-6-12-21(19)32-23)28-25(29)31-15-18-9-2-1-7-16(18)13-27/h1-12H,14-15H2

InChI Key

WCVJRAFTAIXSTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.426

Distribution Coefficient, logD

6.426

Water Solubility, LogSw

-6.19

Polar Surface Area

41.322

Acid Dissociation Constant (pKa)

32.10

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

K263-0745 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 K263-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0745?
Check Price and Availability of K263-0745, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K263-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0745
  • 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 K263-0745 available by request