C791-0863 Screening compound: N-[(2-methoxyphenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide

C791-0863 Screening compound: N-[(2-methoxyphenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide
C791-0863 Screening compound: N-[(2-methoxyphenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0863
N-[(2-methoxyphenyl)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

C791-0863

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

N-[(2-methoxyphenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide

SMILES

Cc1cccc2c1cnn2C(CCC(NCc(cccc1)c1OC)=O)=O

InChI

InChI=1S/C20H21N3O3/c1-14-6-5-8-17-16(14)13-22-23(17)20(25)11-10-19(24)21-12-15-7-3-4-9-18(15)26-2/h3-9,13H,10-12H2,1-2H3,(H,21,24)

InChI Key

RULUWTKKVBFNMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.880

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-3.04

Polar Surface Area

58.577

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C791-0863 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C791-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0863?
Check Price and Availability of C791-0863, 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 C791-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0863
  • 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 C791-0863 available by request