C680-0848 Screening compound: 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0848 Screening compound: 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0848 Screening compound: 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0848
7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-fluorophenyl)-[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

C680-0848

Molecular Formula

C23H21ClFN5 (C23 H21 ClFN5)

Compound Name

7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-fluorophenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Fc1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4NCCC2=CCCCC2)c1

InChI

InChI=1S/C23H21ClFN5/c24-17-9-10-20-19(14-17)22(26-12-11-15-5-2-1-3-6-15)27-23-21(28-29-30(20)23)16-7-4-8-18(25)13-16/h4-5,7-10,13-14H,1-3,6,11-12H2,(H,26,27)

InChI Key

BSQJVRSIQSJVEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.151

Distribution Coefficient, logD

6.151

Water Solubility, LogSw

-6.57

Polar Surface Area

43.103

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C680-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0848?
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What is the minimum amount of C680-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0848
  • 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 C680-0848 available by request