D563-0251 Screening compound: 3-(4-chlorobenzenesulfonyl)-7-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0251 Screening compound: 3-(4-chlorobenzenesulfonyl)-7-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0251 Screening compound: 3-(4-chlorobenzenesulfonyl)-7-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0251
3-(4-chlorobenzenesulfonyl)-7-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-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

D563-0251

Molecular Formula

C20H16ClNO3S3 (C20 H16 ClNO3 S3)

Compound Name

3-(4-chlorobenzenesulfonyl)-7-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

3-(4-chlorobenzenesulfonyl)-7-[4-(methylsulfanyl)phenyl]-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

CSc1ccc(C(C2)c(scc3S(c(cc4)ccc4Cl)(=O)=O)c3NC2=O)cc1

InChI

InChI=1S/C20H16ClNO3S3/c1-26-14-6-2-12(3-7-14)16-10-18(23)22-19-17(11-27-20(16)19)28(24,25)15-8-4-13(21)5-9-15/h2-9,11,16H,10H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

BDUTVJUJLLAPJX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27592880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.89

Polar Surface Area

53.055

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D563-0251 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D563-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0251?
Check Price and Availability of D563-0251, 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 D563-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0251
  • 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 D563-0251 available by request