E694-0163 Screening compound: 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

E694-0163 Screening compound: 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
E694-0163 Screening compound: 3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E694-0163
3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)-[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

E694-0163

Molecular Formula

C24H21N5O5S (C24 H21 N5 O5 S)

Compound Name

3-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(benzenesulfonyl)-N-(345-trimethoxyphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

COc1cc(Nc(c(cccc2)c2n2nn3)nc2c3S(c2ccccc2)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C24H21N5O5S/c1-32-19-13-15(14-20(33-2)21(19)34-3)25-22-17-11-7-8-12-18(17)29-23(26-22)24(27-28-29)35(30,31)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,26)

InChI Key

UEFKVEYLUCHYOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.16

Polar Surface Area

94.273

Acid Dissociation Constant (pKa)

17.01

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E694-0163 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Dark Chemical Matter Library (18430 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E694-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E694-0163?
Check Price and Availability of E694-0163, 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 E694-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E694-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E694-0163
  • 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 E694-0163 available by request