G628-0464 Screening compound: N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G628-0464 Screening compound: N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G628-0464 Screening compound: N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G628-0464
N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

G628-0464

Molecular Formula

C19H18ClN5OS (C19 H18 ClN5 OS)

Compound Name

N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1c(C2n3ncnc3NC(C)=C2C(Nc2c(C)ccc(Cl)c2)=O)scc1

InChI

InChI=1S/C19H18ClN5OS/c1-10-4-5-13(20)8-14(10)24-18(26)15-12(3)23-19-21-9-22-25(19)16(15)17-11(2)6-7-27-17/h4-9,16H,1-3H3,(H,24,26)(H,21,22,23)/t16-/m1/s1

InChI Key

OVFLTQUYTGGSAQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD18171490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.29

Polar Surface Area

61.402

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

G628-0464 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 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

References: we are preparing a list of scientific research reports with G628-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G628-0464?
Check Price and Availability of G628-0464, 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 G628-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G628-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G628-0464
  • 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 G628-0464 available by request