C680-0857 Screening compound: 7-chloro-3-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0857 Screening compound: 7-chloro-3-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0857 Screening compound: 7-chloro-3-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0857
7-chloro-3-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]-[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

C680-0857

Molecular Formula

C20H17ClFN5O (C20 H17 ClFN5 O)

Compound Name

7-chloro-3-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

7-chloro-3-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Fc1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4NCC2OCCC2)c1

InChI

InChI=1S/C20H17ClFN5O/c21-13-6-7-17-16(10-13)19(23-11-15-5-2-8-28-15)24-20-18(25-26-27(17)20)12-3-1-4-14(22)9-12/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,23,24)/t15-/m1/s1

InChI Key

KAGGJNHCEYLPRT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08540147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.58

Polar Surface Area

51.724

Acid Dissociation Constant (pKa)

18.97

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C680-0857 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 C680-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0857?
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What is the minimum amount of C680-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0857
  • 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 C680-0857 available by request