D562-0213 Screening compound: 7-[3-(carbamoylmethoxy)phenyl]-3-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0213 Screening compound: 7-[3-(carbamoylmethoxy)phenyl]-3-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0213 Screening compound: 7-[3-(carbamoylmethoxy)phenyl]-3-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0213
7-[3-(carbamoylmethoxy)phenyl]-3-(4-chlorophenyl)-5-oxo-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

D562-0213

Molecular Formula

C22H17ClN2O5S (C22 H17 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

NC(COc1cccc(C(C2)c(sc(C(O)=O)c3-c(cc4)ccc4Cl)c3NC2=O)c1)=O

InChI

InChI=1S/C22H17ClN2O5S/c23-13-6-4-11(5-7-13)18-19-20(31-21(18)22(28)29)15(9-17(27)25-19)12-2-1-3-14(8-12)30-10-16(24)26/h1-8,15H,9-10H2,(H2,24,26)(H,25,27)(H,28,29)/t15-/m0/s1

InChI Key

MXKWEERAPHPXIP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27592378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

0.876

Water Solubility, LogSw

-3.56

Polar Surface Area

92.578

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D562-0213 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D562-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0213?
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What is the minimum amount of D562-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0213
  • 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 D562-0213 available by request