1682-9495 Screening compound: 2-(1H-1,3-benzimidazol-2-yl)-N-(sec-butyl)benzamide

1682-9495 Screening compound: 2-(1H-1,3-benzimidazol-2-yl)-N-(sec-butyl)benzamide
1682-9495 Screening compound: 2-(1H-1,3-benzimidazol-2-yl)-N-(sec-butyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9495
2-(1H-1,3-benzimidazol-2-yl)-N-(sec-butyl)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

1682-9495

Molecular Formula

C18H19N3O (C18 H19 N3 O)

Compound Name

2-(1H-1,3-benzimidazol-2-yl)-N-(sec-butyl)benzamide

IUPAC name

2-(1H-13-benzodiazol-2-yl)-N-(butan-2-yl)benzamide

SMILES

CCC(C)NC(c(cccc1)c1-c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C18H19N3O/c1-3-12(2)19-18(22)14-9-5-4-8-13(14)17-20-15-10-6-7-11-16(15)21-17/h4-12H,3H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1

InChI Key

RGWARTPRUCFZCR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00710802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.72

Polar Surface Area

43.384

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

1682-9495 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1682-9495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9495?
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What is the minimum amount of 1682-9495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9495
  • 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 1682-9495 available by request