D562-0229 Screening compound: 3-(4-chlorophenyl)-7-(2,6-difluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

D562-0229 Screening compound: 3-(4-chlorophenyl)-7-(2,6-difluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
D562-0229 Screening compound: 3-(4-chlorophenyl)-7-(2,6-difluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D562-0229
3-(4-chlorophenyl)-7-(2,6-difluorophenyl)-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

D562-0229

Molecular Formula

C20H12ClF2NO3S (C20 H12 ClF2 NO3 S)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-7-(26-difluorophenyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

OC(c(sc(C(C1)c(c(F)ccc2)c2F)c2NC1=O)c2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H12ClF2NO3S/c21-10-6-4-9(5-7-10)15-17-18(28-19(15)20(26)27)11(8-14(25)24-17)16-12(22)2-1-3-13(16)23/h1-7,11H,8H2,(H,24,25)(H,26,27)/t11-/m0/s1

InChI Key

CFEMPFKFKPIARO-NSHDSACASA-N

MDL Number (MFCD)

MFCD27592384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-4.76

Polar Surface Area

51.691

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with D562-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D562-0229?
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What is the minimum amount of D562-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D562-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D562-0229
  • 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 D562-0229 available by request