8003-4508 Screening compound: 5-(4-chlorobenzoyl)-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine

8003-4508 Screening compound: 5-(4-chlorobenzoyl)-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine
8003-4508 Screening compound: 5-(4-chlorobenzoyl)-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4508
5-(4-chlorobenzoyl)-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-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

8003-4508

Molecular Formula

C13H12ClN3OS (C13 H12 ClN3 OS)

Compound Name

5-(4-chlorobenzoyl)-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine

IUPAC name

5-(4-chlorobenzoyl)-N2-(prop-2-en-1-yl)-13-thiazole-24-diamine

SMILES

C=CCNc1nc(N)c(C(c(cc2)ccc2Cl)=O)s1

InChI

InChI=1S/C13H12ClN3OS/c1-2-7-16-13-17-12(15)11(19-13)10(18)8-3-5-9(14)6-4-8/h2-6H,1,7,15H2,(H,16,17)

InChI Key

OXSYOKCBQRBLKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.04

Polar Surface Area

54.796

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8003-4508 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-4508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4508?
Check Price and Availability of 8003-4508, 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 8003-4508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4508
  • 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 8003-4508 available by request