G652-3691 Screening compound: N-benzyl-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G652-3691 Screening compound: N-benzyl-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G652-3691 Screening compound: N-benzyl-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 G652-3691
N-benzyl-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

G652-3691

Molecular Formula

C22H22FN5 (C22 H22 FN5)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(NCc2ccccc2)n2nc(Cc3cccc(F)c3)nc2nc1C

InChI

InChI=1S/C22H22FN5/c1-3-19-15(2)25-22-26-20(13-17-10-7-11-18(23)12-17)27-28(22)21(19)24-14-16-8-5-4-6-9-16/h4-12,24H,3,13-14H2,1-2H3

InChI Key

ZABBSJUJBBLBJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.46

Polar Surface Area

42.001

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

G652-3691 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 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 G652-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-3691?
Check Price and Availability of G652-3691, 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 G652-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-3691
  • 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 G652-3691 available by request