G652-3648 Screening compound: N-(4-bromo-3-methylphenyl)-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G652-3648 Screening compound: N-(4-bromo-3-methylphenyl)-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G652-3648 Screening compound: N-(4-bromo-3-methylphenyl)-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G652-3648
N-(4-bromo-3-methylphenyl)-6-ethyl-2-[(3-fluorophenyl)methyl]-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

G652-3648

Molecular Formula

C22H21BrFN5 (C22 H21 BrFN5)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCc1c(Nc(cc2)cc(C)c2Br)n2nc(Cc3cc(F)ccc3)nc2nc1C

InChI

InChI=1S/C22H21BrFN5/c1-4-18-14(3)25-22-27-20(12-15-6-5-7-16(24)11-15)28-29(22)21(18)26-17-8-9-19(23)13(2)10-17/h5-11,26H,4,12H2,1-3H3

InChI Key

BRTPTOUZFMMPLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.34

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

6.045

Distribution Coefficient, logD

6.028

Water Solubility, LogSw

-5.72

Polar Surface Area

40.679

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G652-3648 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G652-3648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-3648?
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What is the minimum amount of G652-3648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-3648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-3648
  • 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 G652-3648 available by request