C147-0022 Screening compound: 4-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]amino}benzoic acid

C147-0022 Screening compound: 4-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]amino}benzoic acid
C147-0022 Screening compound: 4-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0022
4-{[(1-benzyl-1H-1,3-benzodiazol-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

C147-0022

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

4-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]amino}benzoic acid

IUPAC name

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

SMILES

OC(c(cc1)ccc1NCc1nc(cccc2)c2n1Cc1ccccc1)=O

InChI

InChI=1S/C22H19N3O2/c26-22(27)17-10-12-18(13-11-17)23-14-21-24-19-8-4-5-9-20(19)25(21)15-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,27)

InChI Key

BICCDARBUKIKMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-4.65

Polar Surface Area

49.786

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C147-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C147-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0022?
Check Price and Availability of C147-0022, 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 C147-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0022
  • 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 C147-0022 available by request