8019-9719 Screening compound: 5-benzoyl-N2-(propan-2-yl)-1,3-thiazole-2,4-diamine

8019-9719 Screening compound: 5-benzoyl-N2-(propan-2-yl)-1,3-thiazole-2,4-diamine
8019-9719 Screening compound: 5-benzoyl-N2-(propan-2-yl)-1,3-thiazole-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9719
5-benzoyl-N2-(propan-2-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

8019-9719

Molecular Formula

C13H15N3OS (C13 H15 N3 OS)

Compound Name

5-benzoyl-N2-(propan-2-yl)-1,3-thiazole-2,4-diamine

IUPAC name

5-benzoyl-N2-(propan-2-yl)-13-thiazole-24-diamine

SMILES

CC(C)Nc1nc(N)c(C(c2ccccc2)=O)s1

InChI

InChI=1S/C13H15N3OS/c1-8(2)15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,16)

InChI Key

WHJIFFVMTRXENN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.46

Polar Surface Area

53.929

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8019-9719 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-9719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9719?
Check Price and Availability of 8019-9719, 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 8019-9719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9719
  • 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 8019-9719 available by request