C147-0129 Screening compound: 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}methyl)amino]benzoic acid

C147-0129 Screening compound: 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}methyl)amino]benzoic acid
C147-0129 Screening compound: 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}methyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0129
4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}methyl)amino]benzoic acid

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

C147-0129

Molecular Formula

C23H20ClN3O3 (C23 H20 ClN3 O3)

Compound Name

4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzimidazol-2-yl}methyl)amino]benzoic acid

IUPAC name

4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-13-benzodiazol-2-yl}methyl)amino]benzoic acid

SMILES

OC(c(cc1)ccc1NCc1nc(cccc2)c2n1CCOc(cccc1)c1Cl)=O

InChI

InChI=1S/C23H20ClN3O3/c24-18-5-1-4-8-21(18)30-14-13-27-20-7-3-2-6-19(20)26-22(27)15-25-17-11-9-16(10-12-17)23(28)29/h1-12,25H,13-15H2,(H,28,29)

InChI Key

WCDGAMMJLZDUAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05998039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-5.59

Polar Surface Area

57.269

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

C147-0129 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C147-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0129?
Check Price and Availability of C147-0129, 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 C147-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0129
  • 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 C147-0129 available by request