4075-3523 Screening compound: 4-methyl-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid

4075-3523 Screening compound: 4-methyl-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid
4075-3523 Screening compound: 4-methyl-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3523
4-methyl-3-phenyl-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

4075-3523

Molecular Formula

C11H9NO2S2 (C11 H9 NO2 S2)

Compound Name

4-methyl-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid

IUPAC name

4-methyl-3-phenyl-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxylic acid

SMILES

CC(N1c2ccccc2)=C(C(O)=O)SC1=S

InChI

InChI=1S/C11H9NO2S2/c1-7-9(10(13)14)16-11(15)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChI Key

WMNTVZQDOLJKNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02855628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

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

1.964

Distribution Coefficient, logD

-3.130

Water Solubility, LogSw

-2.17

Polar Surface Area

30.956

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4075-3523 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4075-3523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3523?
Check Price and Availability of 4075-3523, 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 4075-3523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3523
  • 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 4075-3523 available by request