D563-0081 Screening compound: 4-[3-(benzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoic acid

D563-0081 Screening compound: 4-[3-(benzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoic acid
D563-0081 Screening compound: 4-[3-(benzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0081
4-[3-(benzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoic acid

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

D563-0081

Molecular Formula

C20H15NO5S2 (C20 H15 NO5 S2)

Compound Name

4-[3-(benzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoic acid

IUPAC name

4-[3-(benzenesulfonyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridin-7-yl]benzoic acid

SMILES

OC(c1ccc(C(C2)c(scc3S(c4ccccc4)(=O)=O)c3NC2=O)cc1)=O

InChI

InChI=1S/C20H15NO5S2/c22-17-10-15(12-6-8-13(9-7-12)20(23)24)19-18(21-17)16(11-27-19)28(25,26)14-4-2-1-3-5-14/h1-9,11,15H,10H2,(H,21,22)(H,23,24)/t15-/m0/s1

InChI Key

WRMWZIGEJAJRRV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27592733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

-0.053

Water Solubility, LogSw

-3.41

Polar Surface Area

81.463

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

D563-0081 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D563-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0081?
Check Price and Availability of D563-0081, 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 D563-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0081
  • 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 D563-0081 available by request