G652-4100 Screening compound: 1-{2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

G652-4100 Screening compound: 1-{2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
G652-4100 Screening compound: 1-{2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G652-4100
1-{2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

G652-4100

Molecular Formula

C24H22F4N6 (C24 H22 F4 N6)

Compound Name

1-{2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{2-[(3-fluorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cc1nc2nc(Cc3cccc(F)c3)nn2c(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C24H22F4N6/c1-16-12-22(34-23(29-16)30-21(31-34)14-17-4-2-6-19(25)13-17)33-10-8-32(9-11-33)20-7-3-5-18(15-20)24(26,27)28/h2-7,12-13,15H,8-11,14H2,1H3

InChI Key

XTMAEOBPTBPCQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-5.36

Polar Surface Area

37.368

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G652-4100 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G652-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-4100?
Check Price and Availability of G652-4100, 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 G652-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-4100
  • 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 G652-4100 available by request