4075-3525 Screening compound: 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid

4075-3525 Screening compound: 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid
4075-3525 Screening compound: 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3525
3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid

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

4075-3525

Molecular Formula

C11H8ClNO2S2 (C11 H8 ClNO2 S2)

Compound Name

3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid

IUPAC name

3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxylic acid

SMILES

CC(N1c(cc2)ccc2Cl)=C(C(O)=O)SC1=S

InChI

InChI=1S/C11H8ClNO2S2/c1-6-9(10(14)15)17-11(16)13(6)8-4-2-7(12)3-5-8/h2-5H,1H3,(H,14,15)

InChI Key

IAQINBZWTJNCJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02855629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

-2.414

Water Solubility, LogSw

-3.13

Polar Surface Area

30.956

Acid Dissociation Constant (pKa)

2.31

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4075-3525 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 4075-3525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3525?
Check Price and Availability of 4075-3525, 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 4075-3525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3525
  • 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 4075-3525 available by request