E785-0066 Screening compound: N-CYCLOPENTYL-3-({[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-YL}AMINO)BENZAMIDE

E785-0066 Screening compound: N-CYCLOPENTYL-3-({[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-YL}AMINO)BENZAMIDE
E785-0066 Screening compound: N-CYCLOPENTYL-3-({[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-YL}AMINO)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E785-0066
N-CYCLOPENTYL-3-({[1,2,4]TRIAZOLO[4,3-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

E785-0066

Molecular Formula

C21H20N6O (C21 H20 N6 O)

Compound Name

N-CYCLOPENTYL-3-({[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-YL}AMINO)BENZAMIDE

IUPAC name

n/a

SMILES

O=C(c1cc(Nc2nc(cccc3)c3n3c2nnc3)ccc1)NC1CCCC1

InChI

InChI=1S/C21H20N6O/c28-21(24-15-7-1-2-8-15)14-6-5-9-16(12-14)23-19-20-26-22-13-27(20)18-11-4-3-10-17(18)25-19/h3-6,9-13,15H,1-2,7-8H2,(H,23,25)(H,24,28)

InChI Key

AEGWQYWQJGBRSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.82

Polar Surface Area

64.583

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E785-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E785-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E785-0066?
Check Price and Availability of E785-0066, 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 E785-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E785-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E785-0066
  • 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 E785-0066 available by request