E694-0123 Screening compound: 4-(2-{[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

E694-0123 Screening compound: 4-(2-{[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide
E694-0123 Screening compound: 4-(2-{[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E694-0123
4-(2-{[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

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

E694-0123

Molecular Formula

C23H20N6O4S2 (C23 H20 N6 O4 S2)

Compound Name

4-(2-{[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

IUPAC name

4-(2-{[3-(benzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]amino}ethyl)benzene-1-sulfonamide

SMILES

NS(c1ccc(CCNc(c(cccc2)c2n2nn3)nc2c3S(c2ccccc2)(=O)=O)cc1)(=O)=O

InChI

InChI=1S/C23H20N6O4S2/c24-35(32,33)18-12-10-16(11-13-18)14-15-25-21-19-8-4-5-9-20(19)29-22(26-21)23(27-28-29)34(30,31)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,25,26)(H2,24,32,33)

InChI Key

WRKKUSZQROTAOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.22

Polar Surface Area

123.062

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E694-0123 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E694-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E694-0123?
Check Price and Availability of E694-0123, 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 E694-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E694-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E694-0123
  • 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 E694-0123 available by request