C718-0475 Screening compound: N-(4-methylcyclohexyl)-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0475 Screening compound: N-(4-methylcyclohexyl)-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0475 Screening compound: N-(4-methylcyclohexyl)-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0475
N-(4-methylcyclohexyl)-3-(2,4,6-trimethylbenzenesulfonyl)-[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

C718-0475

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

N-(4-methylcyclohexyl)-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

N-(4-methylcyclohexyl)-3-(246-trimethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(CC1)CCC1Nc(c(cccc1)c1n1nn2)nc1c2S(c1c(C)cc(C)cc1C)(=O)=O

InChI

InChI=1S/C25H29N5O2S/c1-15-9-11-19(12-10-15)26-23-20-7-5-6-8-21(20)30-24(27-23)25(28-29-30)33(31,32)22-17(3)13-16(2)14-18(22)4/h5-8,13-15,19H,9-12H2,1-4H3,(H,26,27)

InChI Key

BRYCMRMZVWDXPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

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

6.597

Distribution Coefficient, logD

6.597

Water Solubility, LogSw

-5.96

Polar Surface Area

72.342

Acid Dissociation Constant (pKa)

19.31

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C718-0475 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C718-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0475?
Check Price and Availability of C718-0475, 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 C718-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0475
  • 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 C718-0475 available by request