G652-4562 Screening compound: 1-(4-{[2-(3-fluorobenzyl)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)-1-ethanone

G652-4562 Screening compound: 1-(4-{[2-(3-fluorobenzyl)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)-1-ethanone
G652-4562 Screening compound: 1-(4-{[2-(3-fluorobenzyl)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound G652-4562
1-(4-{[2-(3-fluorobenzyl)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)-1-ethanone

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

G652-4562

Molecular Formula

C22H20FN5O (C22 H20 FN5 O)

Compound Name

1-(4-{[2-(3-fluorobenzyl)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)-1-ethanone

IUPAC name

1-[4-({2-[(3-fluorophenyl)methyl]-56-dimethyl-[124]triazolo[15-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1Nc1c(C)c(C)nc2nc(Cc3cccc(F)c3)nn12)=O

InChI

InChI=1S/C22H20FN5O/c1-13-14(2)24-22-26-20(12-16-5-4-6-18(23)11-16)27-28(22)21(13)25-19-9-7-17(8-10-19)15(3)29/h4-11,25H,12H2,1-3H3

InChI Key

VRJIPPZUMHMEGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.15

Polar Surface Area

54.506

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

G652-4562 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G652-4562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-4562?
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What is the minimum amount of G652-4562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-4562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-4562
  • 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 G652-4562 available by request