C791-0450 Screening compound: N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide

C791-0450 Screening compound: N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide
C791-0450 Screening compound: N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0450
N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide

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

C791-0450

Molecular Formula

C16H14ClN3O (C16 H14 ClN3 O)

Compound Name

N-(4-chlorobenzyl)-2-(1H-indazol-1-yl)acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-(1H-indazol-1-yl)acetamide

SMILES

O=C(Cn1ncc2c1cccc2)NCc(cc1)ccc1Cl

InChI

InChI=1S/C16H14ClN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-15-4-2-1-3-13(15)10-19-20/h1-8,10H,9,11H2,(H,18,21)

InChI Key

ZAWKQSFRZSRMCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.39

Polar Surface Area

38.142

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C791-0450 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C791-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0450?
Check Price and Availability of C791-0450, 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 C791-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0450
  • 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 C791-0450 available by request