J025-0825 Screening compound: 3-(4-chlorophenyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

J025-0825 Screening compound: 3-(4-chlorophenyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
J025-0825 Screening compound: 3-(4-chlorophenyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J025-0825
3-(4-chlorophenyl)-7-(3-ethoxy-4-hydroxyphenyl)-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

J025-0825

Molecular Formula

C21H18ClNO3S (C21 H18 ClNO3 S)

Compound Name

3-(4-chlorophenyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

3-(4-chlorophenyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

CCOc(cc(C(C1)c(scc2-c(cc3)ccc3Cl)c2NC1=O)cc1)c1O

InChI

InChI=1S/C21H18ClNO3S/c1-2-26-18-9-13(5-8-17(18)24)15-10-19(25)23-20-16(11-27-21(15)20)12-3-6-14(22)7-4-12/h3-9,11,15,24H,2,10H2,1H3,(H,23,25)/t15-/m0/s1

InChI Key

DJBUACCOIRVQJD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15078866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.602

Water Solubility, LogSw

-4.63

Polar Surface Area

47.041

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

J025-0825 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J025-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J025-0825?
Check Price and Availability of J025-0825, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J025-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J025-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J025-0825
  • 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 J025-0825 available by request