D563-0514 Screening compound: 7-(3-hydroxy-4-methoxyphenyl)-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

D563-0514 Screening compound: 7-(3-hydroxy-4-methoxyphenyl)-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
D563-0514 Screening compound: 7-(3-hydroxy-4-methoxyphenyl)-3-(4-methoxybenzenesulfonyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0514
7-(3-hydroxy-4-methoxyphenyl)-3-(4-methoxybenzenesulfonyl)-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

D563-0514

Molecular Formula

C21H19NO6S2 (C21 H19 NO6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(c1csc(C(C2)c(cc3)cc(O)c3OC)c1NC2=O)(=O)=O

InChI

InChI=1S/C21H19NO6S2/c1-27-13-4-6-14(7-5-13)30(25,26)18-11-29-21-15(10-19(24)22-20(18)21)12-3-8-17(28-2)16(23)9-12/h3-9,11,15,23H,10H2,1-2H3,(H,22,24)/t15-/m0/s1

InChI Key

JAXNIDSULJVLOX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27592937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.15

Polar Surface Area

84.777

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D563-0514 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D563-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0514?
Check Price and Availability of D563-0514, 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 D563-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0514
  • 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 D563-0514 available by request