C718-2108 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-2108 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-2108 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2108
3-(benzenesulfonyl)-7-chloro-N-[3-(trifluoromethyl)phenyl]-[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

C718-2108

Molecular Formula

C22H13ClF3N5O2S (C22 H13 ClF3 N5 O2 S)

Compound Name

3-(benzenesulfonyl)-7-chloro-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(benzenesulfonyl)-7-chloro-N-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

O=S(c(nnn1c(cc2)c3cc2Cl)c1nc3Nc1cc(C(F)(F)F)ccc1)(c1ccccc1)=O

InChI

InChI=1S/C22H13ClF3N5O2S/c23-14-9-10-18-17(12-14)19(27-15-6-4-5-13(11-15)22(24,25)26)28-20-21(29-30-31(18)20)34(32,33)16-7-2-1-3-8-16/h1-12H,(H,27,28)

InChI Key

WTBZYYZCAVGMSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.161

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-6.53

Polar Surface Area

71.295

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C718-2108 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2108?
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What is the minimum amount of C718-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2108
  • 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 C718-2108 available by request