E735-0126 Screening compound: N-(3,4-dimethoxyphenyl)-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

E735-0126 Screening compound: N-(3,4-dimethoxyphenyl)-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide
E735-0126 Screening compound: N-(3,4-dimethoxyphenyl)-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E735-0126
N-(3,4-dimethoxyphenyl)-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

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

E735-0126

Molecular Formula

C23H19N7O3 (C23 H19 N7 O3)

Compound Name

N-(3,4-dimethoxyphenyl)-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

IUPAC name

N-(34-dimethoxyphenyl)-3-({[1234]tetrazolo[15-a]quinoxalin-4-yl}amino)benzamide

SMILES

COc(ccc(NC(c1cc(Nc2nc(cccc3)c3n3nnnc23)ccc1)=O)c1)c1OC

InChI

InChI=1S/C23H19N7O3/c1-32-19-11-10-16(13-20(19)33-2)25-23(31)14-6-5-7-15(12-14)24-21-22-27-28-29-30(22)18-9-4-3-8-17(18)26-21/h3-13H,1-2H3,(H,24,26)(H,25,31)

InChI Key

VDUOICCYVCVEFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.75

Polar Surface Area

92.729

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E735-0126 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E735-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E735-0126?
Check Price and Availability of E735-0126, 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 E735-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E735-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E735-0126
  • 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 E735-0126 available by request