C791-0851 Screening compound: N-CYCLOHEXYL-4-(4-METHYL-1H-INDAZOL-1-YL)-4-OXOBUTANAMIDE

C791-0851 Screening compound: N-CYCLOHEXYL-4-(4-METHYL-1H-INDAZOL-1-YL)-4-OXOBUTANAMIDE
C791-0851 Screening compound: N-CYCLOHEXYL-4-(4-METHYL-1H-INDAZOL-1-YL)-4-OXOBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0851
N-CYCLOHEXYL-4-(4-METHYL-1H-INDAZOL-1-YL)-4-OXOBUTANAMIDE

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

C791-0851

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

N-CYCLOHEXYL-4-(4-METHYL-1H-INDAZOL-1-YL)-4-OXOBUTANAMIDE

IUPAC name

n/a

SMILES

Cc1cccc2c1cnn2C(CCC(NC1CCCCC1)=O)=O

InChI

InChI=1S/C18H23N3O2/c1-13-6-5-9-16-15(13)12-19-21(16)18(23)11-10-17(22)20-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22)

InChI Key

XISXBOHMXAFTPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.02

Polar Surface Area

50.672

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C791-0851 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C791-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0851?
Check Price and Availability of C791-0851, 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 C791-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0851
  • 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 C791-0851 available by request