7954-2542 Screening compound: 3-amino-N-(1,3-benzothiazol-2-yl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

7954-2542 Screening compound: 3-amino-N-(1,3-benzothiazol-2-yl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
7954-2542 Screening compound: 3-amino-N-(1,3-benzothiazol-2-yl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-2542
3-amino-N-(1,3-benzothiazol-2-yl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

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

7954-2542

Molecular Formula

C23H18N4O3S2 (C23 H18 N4 O3 S2)

Compound Name

3-amino-N-(1,3-benzothiazol-2-yl)-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-amino-N-(13-benzothiazol-2-yl)-6-(34-dimethoxyphenyl)thieno[23-b]pyridine-2-carboxamide

SMILES

COc(ccc(-c1ccc(c(N)c(C(Nc2nc(cccc3)c3s2)=O)s2)c2n1)c1)c1OC

InChI

InChI=1S/C23H18N4O3S2/c1-29-16-10-7-12(11-17(16)30-2)14-9-8-13-19(24)20(32-22(13)25-14)21(28)27-23-26-15-5-3-4-6-18(15)31-23/h3-11H,24H2,1-2H3,(H,26,27,28)

InChI Key

GZBFMCLIRPEYKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02950467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.70

Polar Surface Area

77.187

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

7954-2542 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7954-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-2542?
Check Price and Availability of 7954-2542, 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 7954-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-2542
  • 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 7954-2542 available by request