E735-0031 Screening compound: N1-BENZYL-3-([1

E735-0031 Screening compound: N1-BENZYL-3-([1
E735-0031 Screening compound: N1-BENZYL-3-([1 alternative view

Chemical Structure Depiction of ChemDiv screening compound E735-0031
N1-BENZYL-3-([1

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

E735-0031

Molecular Formula

C22H17N7O (C22 H17 N7 O)

Compound Name

N1-BENZYL-3-([1

IUPAC name

n/a

SMILES

O=C(c1cc(Nc2nc(cccc3)c3n3nnnc23)ccc1)NCc1ccccc1

InChI

InChI=1S/C22H17N7O/c30-22(23-14-15-7-2-1-3-8-15)16-9-6-10-17(13-16)24-20-21-26-27-28-29(21)19-12-5-4-11-18(19)25-20/h1-13H,14H2,(H,23,30)(H,24,25)

InChI Key

YLQUHDWMIBGDKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.79

Polar Surface Area

78.790

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

E735-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 E735-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E735-0031?
Check Price and Availability of E735-0031, 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 E735-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E735-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E735-0031
  • 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 E735-0031 available by request