E002-0783 Screening compound: N-[(3-chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-yl)-4-oxobutanamide

E002-0783 Screening compound: N-[(3-chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-yl)-4-oxobutanamide
E002-0783 Screening compound: N-[(3-chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0783
N-[(3-chlorophenyl)methyl]-4-(5-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

E002-0783

Molecular Formula

C19H18ClN3O2 (C19 H18 ClN3 O2)

Compound Name

N-[(3-chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-yl)-4-oxobutanamide

IUPAC name

N-[(3-chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-yl)-4-oxobutanamide

SMILES

Cc(cc1)cc2c1n(C(CCC(NCc1cccc(Cl)c1)=O)=O)nc2

InChI

InChI=1S/C19H18ClN3O2/c1-13-5-6-17-15(9-13)12-22-23(17)19(25)8-7-18(24)21-11-14-3-2-4-16(20)10-14/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,24)

InChI Key

XKXJKJCCMZACGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

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

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.36

Polar Surface Area

50.946

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E002-0783 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 E002-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0783?
Check Price and Availability of E002-0783, 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 E002-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0783
  • 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 E002-0783 available by request