G652-0245 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G652-0245 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G652-0245 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G652-0245
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethyl-5-methyl-2-phenyl-[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

G652-0245

Molecular Formula

C21H17ClF3N5 (C21 H17 ClF3 N5)

Compound Name

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

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethyl-5-methyl-2-phenyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCc1c(Nc(cc2)cc(C(F)(F)F)c2Cl)n2nc(-c3ccccc3)nc2nc1C

InChI

InChI=1S/C21H17ClF3N5/c1-3-15-12(2)26-20-28-18(13-7-5-4-6-8-13)29-30(20)19(15)27-14-9-10-17(22)16(11-14)21(23,24)25/h4-11,27H,3H2,1-2H3

InChI Key

LFWFMJCXSRXPQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.85

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

6.459

Distribution Coefficient, logD

6.399

Water Solubility, LogSw

-6.52

Polar Surface Area

39.689

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G652-0245 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G652-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-0245?
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What is the minimum amount of G652-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-0245
  • 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 G652-0245 available by request