C718-2414 Screening compound: 7-chloro-3-(3,4-dimethylbenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-2414 Screening compound: 7-chloro-3-(3,4-dimethylbenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-2414 Screening compound: 7-chloro-3-(3,4-dimethylbenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2414
7-chloro-3-(3,4-dimethylbenzenesulfonyl)-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

C718-2414

Molecular Formula

C24H17ClF3N5O2S (C24 H17 ClF3 N5 O2 S)

Compound Name

7-chloro-3-(3,4-dimethylbenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

7-chloro-3-(34-dimethylbenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)c(C)cc1S(c(nnn1c(cc2)c3cc2Cl)c1nc3Nc1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C24H17ClF3N5O2S/c1-13-6-8-18(10-14(13)2)36(34,35)23-22-30-21(29-17-5-3-4-15(11-17)24(26,27)28)19-12-16(25)7-9-20(19)33(22)32-31-23/h3-12H,1-2H3,(H,29,30)

InChI Key

FRKLHDJUXXURPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.95

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

7.235

Distribution Coefficient, logD

7.235

Water Solubility, LogSw

-6.75

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

12.50

C718-2414 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 C718-2414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2414?
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What is the minimum amount of C718-2414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2414
  • 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 C718-2414 available by request