D563-0198 Screening compound: methyl 4-[3-(4-methylbenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoate

D563-0198 Screening compound: methyl 4-[3-(4-methylbenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoate
D563-0198 Screening compound: methyl 4-[3-(4-methylbenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D563-0198
methyl 4-[3-(4-methylbenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoate

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

D563-0198

Molecular Formula

C22H19NO5S2 (C22 H19 NO5 S2)

Compound Name

methyl 4-[3-(4-methylbenzenesulfonyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridin-7-yl]benzoate

IUPAC name

methyl 4-[3-(4-methylbenzenesulfonyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridin-7-yl]benzoate

SMILES

Cc(cc1)ccc1S(c1csc(C(C2)c(cc3)ccc3C(OC)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C22H19NO5S2/c1-13-3-9-16(10-4-13)30(26,27)18-12-29-21-17(11-19(24)23-20(18)21)14-5-7-15(8-6-14)22(25)28-2/h3-10,12,17H,11H2,1-2H3,(H,23,24)/t17-/m0/s1

InChI Key

SLHRHWXYDGPCSM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27592837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-4.04

Polar Surface Area

74.229

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D563-0198 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D563-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D563-0198?
Check Price and Availability of D563-0198, 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 D563-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D563-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D563-0198
  • 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 D563-0198 available by request