G652-3673 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-6-ETHYL-2-[(3-FLUOROPHENYL)METHYL]-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE

G652-3673 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-6-ETHYL-2-[(3-FLUOROPHENYL)METHYL]-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE
G652-3673 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-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 G652-3673
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-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

G652-3673

Molecular Formula

C23H22FN5O2 (C23 H22 FN5 O2)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-6-ETHYL-2-[(3-FLUOROPHENYL)METHYL]-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-ethyl-2-[(3-fluorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCc1c(NCc(cc2)cc3c2OCO3)n2nc(Cc3cccc(F)c3)nc2nc1C

InChI

InChI=1S/C23H22FN5O2/c1-3-18-14(2)26-23-27-21(11-15-5-4-6-17(24)9-15)28-29(23)22(18)25-12-16-7-8-19-20(10-16)31-13-30-19/h4-10,25H,3,11-13H2,1-2H3

InChI Key

DMGPEKDLFZCUJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.47

Polar Surface Area

59.117

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

G652-3673 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G652-3673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G652-3673?
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What is the minimum amount of G652-3673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G652-3673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G652-3673
  • 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 G652-3673 available by request