C680-0643 Screening compound: 4-(2-{[3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

C680-0643 Screening compound: 4-(2-{[3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide
C680-0643 Screening compound: 4-(2-{[3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0643
4-(2-{[3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

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

C680-0643

Molecular Formula

C23H19FN6O2S (C23 H19 FN6 O2 S)

Compound Name

4-(2-{[3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

IUPAC name

n/a

SMILES

NS(c1ccc(CCNc2nc3c(-c4cc(F)ccc4)nnn3c3c2cccc3)cc1)(=O)=O

InChI

InChI=1S/C23H19FN6O2S/c24-17-5-3-4-16(14-17)21-23-27-22(19-6-1-2-7-20(19)30(23)29-28-21)26-13-12-15-8-10-18(11-9-15)33(25,31)32/h1-11,14H,12-13H2,(H,26,27)(H2,25,31,32)

InChI Key

MNTUYXXJPMNDHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-4.03

Polar Surface Area

93.514

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C680-0643 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C680-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0643?
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What is the minimum amount of C680-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0643
  • 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 C680-0643 available by request