C680-0680 Screening compound: N-[3-(3-bromophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-N-isopropylamine

C680-0680 Screening compound: N-[3-(3-bromophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-N-isopropylamine
C680-0680 Screening compound: N-[3-(3-bromophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-N-isopropylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0680
N-[3-(3-bromophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-N-isopropylamine

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

C680-0680

Molecular Formula

C18H16BrN5 (C18 H16 BrN5)

Compound Name

N-[3-(3-bromophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-N-isopropylamine

IUPAC name

n/a

SMILES

CC(C)Nc1nc2c(-c3cccc(Br)c3)nnn2c2c1cccc2

InChI

InChI=1S/C18H16BrN5/c1-11(2)20-17-14-8-3-4-9-15(14)24-18(21-17)16(22-23-24)12-6-5-7-13(19)10-12/h3-11H,1-2H3,(H,20,21)

InChI Key

ABBWFQZPEXLJCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.91

Polar Surface Area

42.316

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

C680-0680 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C680-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0680?
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What is the minimum amount of C680-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0680
  • 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 C680-0680 available by request