3820-3808 Screening compound: methyl 4-methyl-2-({[(4-methylphenyl)formamido]methanethioyl}amino)-1,3-thiazole-5-carboxylate

3820-3808 Screening compound: methyl 4-methyl-2-({[(4-methylphenyl)formamido]methanethioyl}amino)-1,3-thiazole-5-carboxylate
3820-3808 Screening compound: methyl 4-methyl-2-({[(4-methylphenyl)formamido]methanethioyl}amino)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-3808
methyl 4-methyl-2-({[(4-methylphenyl)formamido]methanethioyl}amino)-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

3820-3808

Molecular Formula

C15H15N3O3S2 (C15 H15 N3 O3 S2)

Compound Name

methyl 4-methyl-2-({[(4-methylphenyl)formamido]methanethioyl}amino)-1,3-thiazole-5-carboxylate

IUPAC name

methyl 4-methyl-2-({[(4-methylphenyl)formamido]methanethioyl}amino)-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(NC(c2ccc(C)cc2)=O)=S)n1

InChI

InChI=1S/C15H15N3O3S2/c1-8-4-6-10(7-5-8)12(19)17-14(22)18-15-16-9(2)11(23-15)13(20)21-3/h4-7H,1-3H3,(H2,16,17,18,19,22)

InChI Key

HBAWMXWARNDNAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.82

Polar Surface Area

65.037

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3820-3808 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3820-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-3808?
Check Price and Availability of 3820-3808, 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 3820-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-3808
  • 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 3820-3808 available by request