D562-0140 Screening compound: 3-(4-chlorophenyl)-5-oxo-7-[4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0140 Screening compound: 3-(4-chlorophenyl)-5-oxo-7-[4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0140 Screening compound: 3-(4-chlorophenyl)-5-oxo-7-[4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0140
3-(4-chlorophenyl)-5-oxo-7-[4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic 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

D562-0140

Molecular Formula

C23H16ClNO4S (C23 H16 ClNO4 S)

Compound Name

3-(4-chlorophenyl)-5-oxo-7-[4-(prop-2-yn-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

3-(4-chlorophenyl)-5-oxo-7-[4-(prop-2-yn-1-yloxy)phenyl]-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

C#CCOc1ccc(C(C2)c(sc(C(O)=O)c3-c(cc4)ccc4Cl)c3NC2=O)cc1

InChI

InChI=1S/C23H16ClNO4S/c1-2-11-29-16-9-5-13(6-10-16)17-12-18(26)25-20-19(14-3-7-15(24)8-4-14)22(23(27)28)30-21(17)20/h1,3-10,17H,11-12H2,(H,25,26)(H,27,28)/t17-/m0/s1

InChI Key

KJVZSUHPCRHFSR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27592342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-4.97

Polar Surface Area

59.108

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D562-0140 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D562-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0140?
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What is the minimum amount of D562-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0140
  • 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 D562-0140 available by request