J025-0041 Screening compound: 7-[4-(methylsulfanyl)phenyl]-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

J025-0041 Screening compound: 7-[4-(methylsulfanyl)phenyl]-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
J025-0041 Screening compound: 7-[4-(methylsulfanyl)phenyl]-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J025-0041
7-[4-(methylsulfanyl)phenyl]-3-phenyl-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

J025-0041

Molecular Formula

C20H17NOS2 (C20 H17 NOS2)

Compound Name

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

IUPAC name

7-[4-(methylsulfanyl)phenyl]-3-phenyl-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

CSc1ccc(C(C2)c(scc3-c4ccccc4)c3NC2=O)cc1

InChI

InChI=1S/C20H17NOS2/c1-23-15-9-7-14(8-10-15)16-11-18(22)21-19-17(12-24-20(16)19)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,21,22)/t16-/m1/s1

InChI Key

URUKONOLLQRTLU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15078825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-4.60

Polar Surface Area

23.282

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J025-0041 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J025-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J025-0041?
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What is the minimum amount of J025-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J025-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J025-0041
  • 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 J025-0041 available by request