7954-5027 Screening compound: 5-(4-chlorobenzoyl)-N3-methyl-1,2-thiazole-3,4-diamine

7954-5027 Screening compound: 5-(4-chlorobenzoyl)-N3-methyl-1,2-thiazole-3,4-diamine
7954-5027 Screening compound: 5-(4-chlorobenzoyl)-N3-methyl-1,2-thiazole-3,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-5027
5-(4-chlorobenzoyl)-N3-methyl-1,2-thiazole-3,4-diamine

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

7954-5027

Molecular Formula

C11H10ClN3OS (C11 H10 ClN3 OS)

Compound Name

5-(4-chlorobenzoyl)-N3-methyl-1,2-thiazole-3,4-diamine

IUPAC name

5-(4-chlorobenzoyl)-N3-methyl-12-thiazole-34-diamine

SMILES

CNc1nsc(C(c(cc2)ccc2Cl)=O)c1N

InChI

InChI=1S/C11H10ClN3OS/c1-14-11-8(13)10(17-15-11)9(16)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3,(H,14,15)

InChI Key

KPWRSKSNRWHHEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.67

Polar Surface Area

54.879

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

7954-5027 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 7954-5027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-5027?
Check Price and Availability of 7954-5027, 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 7954-5027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-5027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-5027
  • 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 7954-5027 available by request