C680-0603 Screening compound: 4-[2-({3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}amino)ethyl]benzene-1-sulfonamide

C680-0603 Screening compound: 4-[2-({3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}amino)ethyl]benzene-1-sulfonamide
C680-0603 Screening compound: 4-[2-({3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}amino)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0603
4-[2-({3-[3-(trifluoromethyl)phenyl]-[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

C680-0603

Molecular Formula

C24H19F3N6O2S (C24 H19 F3 N6 O2 S)

Compound Name

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

IUPAC name

4-[2-({3-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-yl}amino)ethyl]benzene-1-sulfonamide

SMILES

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

InChI

InChI=1S/C24H19F3N6O2S/c25-24(26,27)17-5-3-4-16(14-17)21-23-30-22(19-6-1-2-7-20(19)33(23)32-31-21)29-13-12-15-8-10-18(11-9-15)36(28,34)35/h1-11,14H,12-13H2,(H,29,30)(H2,28,34,35)

InChI Key

CAAXWJZDHMLGPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.58

Polar Surface Area

93.514

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C680-0603 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C680-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0603?
Check Price and Availability of C680-0603, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C680-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0603
  • 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 C680-0603 available by request