J025-1124 Screening compound: 7-(5-bromo-2-fluorophenyl)-3-(2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

J025-1124 Screening compound: 7-(5-bromo-2-fluorophenyl)-3-(2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
J025-1124 Screening compound: 7-(5-bromo-2-fluorophenyl)-3-(2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J025-1124
7-(5-bromo-2-fluorophenyl)-3-(2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

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

J025-1124

Molecular Formula

C19H12BrF2NOS (C19 H12 BrF2 NOS)

Compound Name

7-(5-bromo-2-fluorophenyl)-3-(2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

7-(5-bromo-2-fluorophenyl)-3-(2-fluorophenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

O=C(CC1c(cc(cc2)Br)c2F)Nc2c1scc2-c(cccc1)c1F

InChI

InChI=1S/C19H12BrF2NOS/c20-10-5-6-16(22)12(7-10)13-8-17(24)23-18-14(9-25-19(13)18)11-3-1-2-4-15(11)21/h1-7,9,13H,8H2,(H,23,24)/t13-/m1/s1

InChI Key

LECRGTNNIJKJGA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27219489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

5.058

Water Solubility, LogSw

-4.92

Polar Surface Area

23.282

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

J025-1124 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J025-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J025-1124?
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What is the minimum amount of J025-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J025-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J025-1124
  • 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 J025-1124 available by request