G652-4590 Screening compound: 2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G652-4590 Screening compound: 2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G652-4590 Screening compound: 2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G652-4590
2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-[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

G652-4590

Molecular Formula

C21H19F2N5 (C21 H19 F2 N5)

Compound Name

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

IUPAC name

2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-56-dimethyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

Cc1c(NCc(cc2)ccc2F)n2nc(Cc3cccc(F)c3)nc2nc1C

InChI

InChI=1S/C21H19F2N5/c1-13-14(2)25-21-26-19(11-16-4-3-5-18(23)10-16)27-28(21)20(13)24-12-15-6-8-17(22)9-7-15/h3-10,24H,11-12H2,1-2H3

InChI Key

CGCRGGLGYSUGJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.14

Polar Surface Area

42.001

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

G652-4590 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G652-4590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-4590?
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What is the minimum amount of G652-4590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-4590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-4590
  • 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 G652-4590 available by request