G652-3953 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G652-3953 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G652-3953 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-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 G652-3953
N-(2H-1,3-benzodioxol-5-yl)-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

G652-3953

Molecular Formula

C20H16FN5O2 (C20 H16 FN5 O2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

Cc1nc2nc(Cc3cccc(F)c3)nn2c(Nc(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C20H16FN5O2/c1-12-7-19(23-15-5-6-16-17(10-15)28-11-27-16)26-20(22-12)24-18(25-26)9-13-3-2-4-14(21)8-13/h2-8,10,23H,9,11H2,1H3

InChI Key

RTNRZKLZUZJNCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.06

Polar Surface Area

57.946

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G652-3953 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G652-3953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-3953?
Check Price and Availability of G652-3953, 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 G652-3953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-3953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-3953
  • 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 G652-3953 available by request