G644-0158 Screening compound: N-(3-chlorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G644-0158 Screening compound: N-(3-chlorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G644-0158 Screening compound: N-(3-chlorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G644-0158
N-(3-chlorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

G644-0158

Molecular Formula

C14H14ClN5 (C14 H14 ClN5)

Compound Name

N-(3-chlorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-(3-chlorophenyl)-6-ethyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCc1c(Nc2cccc(Cl)c2)n2ncnc2nc1C

InChI

InChI=1S/C14H14ClN5/c1-3-12-9(2)18-14-16-8-17-20(14)13(12)19-11-6-4-5-10(15)7-11/h4-8,19H,3H2,1-2H3

InChI Key

SSUCBGJKIDXGDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.73

Polar Surface Area

40.901

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G644-0158 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Structure:
  • Fragments
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G644-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G644-0158?
Check Price and Availability of G644-0158, 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 G644-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G644-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G644-0158
  • 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 G644-0158 available by request