C718-0840 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2,3-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0840 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2,3-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0840 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2,3-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0840
3-(2,5-dimethylbenzenesulfonyl)-N-(2,3-dimethylphenyl)-[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

C718-0840

Molecular Formula

C25H23N5O2S (C25 H23 N5 O2 S)

Compound Name

3-(2,5-dimethylbenzenesulfonyl)-N-(2,3-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(25-dimethylbenzenesulfonyl)-N-(23-dimethylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc1cc(S(c(nnn2c3c4cccc3)c2nc4Nc2c(C)c(C)ccc2)(=O)=O)c(C)cc1

InChI

InChI=1S/C25H23N5O2S/c1-15-12-13-17(3)22(14-15)33(31,32)25-24-27-23(26-20-10-7-8-16(2)18(20)4)19-9-5-6-11-21(19)30(24)29-28-25/h5-14H,1-4H3,(H,26,27)

InChI Key

LERWPVOSHKOMST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

6.145

Water Solubility, LogSw

-5.83

Polar Surface Area

70.597

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C718-0840 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C718-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0840?
Check Price and Availability of C718-0840, 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 C718-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0840
  • 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 C718-0840 available by request