D563-0112 Screening compound: 3-(benzenesulfonyl)-7-(5-chloro-2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0112 Screening compound: 3-(benzenesulfonyl)-7-(5-chloro-2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0112 Screening compound: 3-(benzenesulfonyl)-7-(5-chloro-2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0112
3-(benzenesulfonyl)-7-(5-chloro-2-fluorophenyl)-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

D563-0112

Molecular Formula

C19H13ClFNO3S2 (C19 H13 ClFNO3 S2)

Compound Name

3-(benzenesulfonyl)-7-(5-chloro-2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

3-(benzenesulfonyl)-7-(5-chloro-2-fluorophenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

O=C(CC1c(cc(cc2)Cl)c2F)Nc2c1scc2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C19H13ClFNO3S2/c20-11-6-7-15(21)13(8-11)14-9-17(23)22-18-16(10-26-19(14)18)27(24,25)12-4-2-1-3-5-12/h1-8,10,14H,9H2,(H,22,23)/t14-/m1/s1

InChI Key

QQOURSUGCHBYDX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27592760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.35

Polar Surface Area

53.055

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-9.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

D563-0112 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D563-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0112?
Check Price and Availability of D563-0112, 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 D563-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0112
  • 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 D563-0112 available by request