D562-0531 Screening compound: 7-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0531 Screening compound: 7-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0531 Screening compound: 7-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0531
7-(4-chlorophenyl)-3-(4-methoxyphenyl)-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

D562-0531

Molecular Formula

C21H16ClNO4S (C21 H16 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(C(O)=O)sc(C(C2)c(cc3)ccc3Cl)c1NC2=O

InChI

InChI=1S/C21H16ClNO4S/c1-27-14-8-4-12(5-9-14)17-18-19(28-20(17)21(25)26)15(10-16(24)23-18)11-2-6-13(22)7-3-11/h2-9,15H,10H2,1H3,(H,23,24)(H,25,26)/t15-/m1/s1

InChI Key

SEEBTUJADYXKLX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27592539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-4.86

Polar Surface Area

59.234

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D562-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0531?
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What is the minimum amount of D562-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0531
  • 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 D562-0531 available by request