D563-0029 Screening compound: 3-(benzenesulfonyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0029 Screening compound: 3-(benzenesulfonyl)-7-(3-ethoxy-4-hydroxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0029 Screening compound: 3-(benzenesulfonyl)-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 D563-0029
3-(benzenesulfonyl)-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

D563-0029

Molecular Formula

C21H19NO5S2 (C21 H19 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(C1)c(scc2S(c3ccccc3)(=O)=O)c2NC1=O)cc1)c1O

InChI

InChI=1S/C21H19NO5S2/c1-2-27-17-10-13(8-9-16(17)23)15-11-19(24)22-20-18(12-28-21(15)20)29(25,26)14-6-4-3-5-7-14/h3-10,12,15,23H,2,11H2,1H3,(H,22,24)/t15-/m0/s1

InChI Key

BQJOUXPSVXJIMF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27592685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.25

Polar Surface Area

76.813

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D563-0029 in Drug Discovery

Included in Screening Libraries

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 D563-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0029?
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What is the minimum amount of D563-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0029
  • 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 D563-0029 available by request