V031-0505 Screening compound: 4-[(2-benzyl-1H-1,3-benzimidazol-1-yl)methyl]-N~1~-[2-(2-pyridyl)ethyl]benzamide

V031-0505 Screening compound: 4-[(2-benzyl-1H-1,3-benzimidazol-1-yl)methyl]-N~1~-[2-(2-pyridyl)ethyl]benzamide
V031-0505 Screening compound: 4-[(2-benzyl-1H-1,3-benzimidazol-1-yl)methyl]-N~1~-[2-(2-pyridyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0505
4-[(2-benzyl-1H-1,3-benzimidazol-1-yl)methyl]-N~1~-[2-(2-pyridyl)ethyl]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

V031-0505

Molecular Formula

C29H26N4O (C29 H26 N4 O)

Compound Name

4-[(2-benzyl-1H-1,3-benzimidazol-1-yl)methyl]-N~1~-[2-(2-pyridyl)ethyl]benzamide

IUPAC name

n/a

SMILES

O=C(c1ccc(Cn2c(cccc3)c3nc2Cc2ccccc2)cc1)NCCc1ncccc1

InChI

InChI=1S/C29H26N4O/c34-29(31-19-17-25-10-6-7-18-30-25)24-15-13-23(14-16-24)21-33-27-12-5-4-11-26(27)32-28(33)20-22-8-2-1-3-9-22/h1-16,18H,17,19-21H2,(H,31,34)

InChI Key

AZIPDHOQVALEIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-4.75

Polar Surface Area

44.670

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

V031-0505 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V031-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0505?
Check Price and Availability of V031-0505, 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 V031-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0505
  • 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 V031-0505 available by request