G652-4114 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine

G652-4114 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine
G652-4114 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G652-4114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]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

G652-4114

Molecular Formula

C21H18FN5O2 (C21 H18 FN5 O2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine

IUPAC name

n/a

SMILES

Cc1nc2nc(Cc3cccc(F)c3)nn2c(Nc(cc2)cc3c2OCCO3)c1

InChI

InChI=1S/C21H18FN5O2/c1-13-9-20(24-16-5-6-17-18(12-16)29-8-7-28-17)27-21(23-13)25-19(26-27)11-14-3-2-4-15(22)10-14/h2-6,9-10,12,24H,7-8,11H2,1H3

InChI Key

WIXCRCREERQHRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

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

3.021

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.17

Polar Surface Area

56.654

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G652-4114 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G652-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-4114?
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What is the minimum amount of G652-4114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-4114
  • 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 G652-4114 available by request