4340-0822 Screening compound: prop-2-en-1-yl 2-(3-chloro-1-benzothiophene-2-amido)-4-methyl-1,3-thiazole-5-carboxylate

4340-0822 Screening compound: prop-2-en-1-yl 2-(3-chloro-1-benzothiophene-2-amido)-4-methyl-1,3-thiazole-5-carboxylate
4340-0822 Screening compound: prop-2-en-1-yl 2-(3-chloro-1-benzothiophene-2-amido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0822
prop-2-en-1-yl 2-(3-chloro-1-benzothiophene-2-amido)-4-methyl-1,3-thiazole-5-carboxylate

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

4340-0822

Molecular Formula

C17H13ClN2O3S2 (C17 H13 ClN2 O3 S2)

Compound Name

prop-2-en-1-yl 2-(3-chloro-1-benzothiophene-2-amido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

prop-2-en-1-yl 2-(3-chloro-1-benzothiophene-2-amido)-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OCC=C)=O)sc(NC(c(sc2c3cccc2)c3Cl)=O)n1

InChI

InChI=1S/C17H13ClN2O3S2/c1-3-8-23-16(22)13-9(2)19-17(25-13)20-15(21)14-12(18)10-6-4-5-7-11(10)24-14/h3-7H,1,8H2,2H3,(H,19,20,21)

InChI Key

BXNYQBQQFSCXLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02993094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.86

Polar Surface Area

55.748

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4340-0822 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4340-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0822?
Check Price and Availability of 4340-0822, 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 4340-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0822
  • 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 4340-0822 available by request