C680-0496 Screening compound: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0496 Screening compound: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0496 Screening compound: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0496
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-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

C680-0496

Molecular Formula

C23H18FN5 (C23 H18 FN5)

Compound Name

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)ccc1-c(nnn1c2c3cccc2)c1nc3NCc(cc1)ccc1F

InChI

InChI=1S/C23H18FN5/c1-15-6-10-17(11-7-15)21-23-26-22(25-14-16-8-12-18(24)13-9-16)19-4-2-3-5-20(19)29(23)28-27-21/h2-13H,14H2,1H3,(H,25,26)

InChI Key

XSLUDWGYWIOCPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.961

Distribution Coefficient, logD

4.961

Water Solubility, LogSw

-4.80

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

18.26

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with C680-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0496?
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What is the minimum amount of C680-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0496
  • 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 C680-0496 available by request