J025-0398 Screening compound: 7-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

J025-0398 Screening compound: 7-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
J025-0398 Screening compound: 7-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J025-0398
7-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)-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

J025-0398

Molecular Formula

C21H18BrNO3S (C21 H18 BrNO3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1csc(C(C2)c(cc(cc3)Br)c3OC)c1NC2=O

InChI

InChI=1S/C21H18BrNO3S/c1-25-14-6-3-12(4-7-14)17-11-27-21-16(10-19(24)23-20(17)21)15-9-13(22)5-8-18(15)26-2/h3-9,11,16H,10H2,1-2H3,(H,23,24)/t16-/m1/s1

InChI Key

RJNMJHSZHVPTCA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27219443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.02

Polar Surface Area

38.457

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

J025-0398 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J025-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J025-0398?
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What is the minimum amount of J025-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J025-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J025-0398
  • 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 J025-0398 available by request