C718-0150 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0150 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0150 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0150
3-(3,4-dimethylbenzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-[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

C718-0150

Molecular Formula

C25H23N5O3S (C25 H23 N5 O3 S)

Compound Name

3-(3,4-dimethylbenzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(34-dimethylbenzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)c(C)cc1S(c(nnn1c2c3cccc2)c1nc3NCc(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C25H23N5O3S/c1-16-12-13-19(14-17(16)2)34(31,32)25-24-27-23(26-15-18-8-4-7-11-22(18)33-3)20-9-5-6-10-21(20)30(24)29-28-25/h4-14H,15H2,1-3H3,(H,26,27)

InChI Key

FGJACHDGLVUIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.53

Polar Surface Area

80.247

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C718-0150 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C718-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0150?
Check Price and Availability of C718-0150, 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 C718-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0150
  • 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 C718-0150 available by request