C791-0911 Screening compound: N-[(4-fluorophenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide

C791-0911 Screening compound: N-[(4-fluorophenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide
C791-0911 Screening compound: N-[(4-fluorophenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0911
N-[(4-fluorophenyl)methyl]-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

C791-0911

Molecular Formula

C19H18FN3O2 (C19 H18 FN3 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide

SMILES

Cc1cccc2c1cnn2C(CCC(NCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C19H18FN3O2/c1-13-3-2-4-17-16(13)12-22-23(17)19(25)10-9-18(24)21-11-14-5-7-15(20)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24)

InChI Key

FDDRYMQRMZLAPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.688

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-2.61

Polar Surface Area

50.946

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

C791-0911 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C791-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0911?
Check Price and Availability of C791-0911, 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 C791-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0911
  • 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 C791-0911 available by request