E002-0578 Screening compound: 2-(4-chloro-1H-indazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

E002-0578 Screening compound: 2-(4-chloro-1H-indazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
E002-0578 Screening compound: 2-(4-chloro-1H-indazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0578
2-(4-chloro-1H-indazol-1-yl)-N-[(4-fluorophenyl)methyl]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

E002-0578

Molecular Formula

C16H13ClFN3O (C16 H13 ClFN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn(c1ccc2)ncc1c2Cl)NCc(cc1)ccc1F

InChI

InChI=1S/C16H13ClFN3O/c17-14-2-1-3-15-13(14)9-20-21(15)10-16(22)19-8-11-4-6-12(18)7-5-11/h1-7,9H,8,10H2,(H,19,22)

InChI Key

DKBUQFPNARXPTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.75

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

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.34

Polar Surface Area

38.142

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E002-0578 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with E002-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0578?
Check Price and Availability of E002-0578, 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 E002-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0578
  • 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 E002-0578 available by request