C718-0477 Screening compound: N-[(3-methoxyphenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0477 Screening compound: N-[(3-methoxyphenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0477 Screening compound: N-[(3-methoxyphenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0477
N-[(3-methoxyphenyl)methyl]-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

C718-0477

Molecular Formula

C26H25N5O3S (C26 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1C)cc(C)c1S(c(nnn1c2c3cccc2)c1nc3NCc1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C26H25N5O3S/c1-16-12-17(2)23(18(3)13-16)35(32,33)26-25-28-24(27-15-19-8-7-9-20(14-19)34-4)21-10-5-6-11-22(21)31(25)30-29-26/h5-14H,15H2,1-4H3,(H,27,28)

InChI Key

UUNAEPDNRITMIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

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

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.73

Polar Surface Area

80.161

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C718-0477 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 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 C718-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0477?
Check Price and Availability of C718-0477, 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 C718-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0477
  • 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 C718-0477 available by request