D563-0574 Screening compound: 4-[3-(4-methoxybenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzonitrile

D563-0574 Screening compound: 4-[3-(4-methoxybenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzonitrile
D563-0574 Screening compound: 4-[3-(4-methoxybenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0574
4-[3-(4-methoxybenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzonitrile

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

D563-0574

Molecular Formula

C21H16N2O4S2 (C21 H16 N2 O4 S2)

Compound Name

4-[3-(4-methoxybenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzonitrile

IUPAC name

4-[3-(4-methoxybenzenesulfonyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridin-7-yl]benzonitrile

SMILES

COc(cc1)ccc1S(c1csc(C(C2)c(cc3)ccc3C#N)c1NC2=O)(=O)=O

InChI

InChI=1S/C21H16N2O4S2/c1-27-15-6-8-16(9-7-15)29(25,26)18-12-28-21-17(10-19(24)23-20(18)21)14-4-2-13(11-22)3-5-14/h2-9,12,17H,10H2,1H3,(H,23,24)/t17-/m0/s1

InChI Key

KFPZOACETXOFIG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27592978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.50

Polar Surface Area

77.655

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D563-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0574?
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What is the minimum amount of D563-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0574
  • 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 D563-0574 available by request