4469-0748 Screening compound: N-(3-chloro-2-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine

4469-0748 Screening compound: N-(3-chloro-2-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
4469-0748 Screening compound: N-(3-chloro-2-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0748
N-(3-chloro-2-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine

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

4469-0748

Molecular Formula

C15H12ClN3S (C15 H12 ClN3 S)

Compound Name

N-(3-chloro-2-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine

IUPAC name

N-(3-chloro-2-methylphenyl)-4-(pyridin-3-yl)-13-thiazol-2-amine

SMILES

Cc(c(Nc1nc(-c2cnccc2)cs1)ccc1)c1Cl

InChI

InChI=1S/C15H12ClN3S/c1-10-12(16)5-2-6-13(10)18-15-19-14(9-20-15)11-4-3-7-17-8-11/h2-9H,1H3,(H,18,19)

InChI Key

FDSXUJHOJWZCTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.851

Water Solubility, LogSw

-5.12

Polar Surface Area

27.746

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4469-0748 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4469-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0748?
Check Price and Availability of 4469-0748, 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 4469-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0748
  • 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 4469-0748 available by request