E002-0126 Screening compound: N-[(3-fluorophenyl)methyl]-2-(3-methyl-1H-indazol-1-yl)propanamide

E002-0126 Screening compound: N-[(3-fluorophenyl)methyl]-2-(3-methyl-1H-indazol-1-yl)propanamide
E002-0126 Screening compound: N-[(3-fluorophenyl)methyl]-2-(3-methyl-1H-indazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0126
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1H-indazol-1-yl)propanamide

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

E002-0126

Molecular Formula

C18H18FN3O (C18 H18 FN3 O)

Compound Name

N-[(3-fluorophenyl)methyl]-2-(3-methyl-1H-indazol-1-yl)propanamide

IUPAC name

N-[(3-fluorophenyl)methyl]-2-(3-methyl-1H-indazol-1-yl)propanamide

SMILES

CC(C(NCc1cccc(F)c1)=O)n1nc(C)c2c1cccc2

InChI

InChI=1S/C18H18FN3O/c1-12-16-8-3-4-9-17(16)22(21-12)13(2)18(23)20-11-14-6-5-7-15(19)10-14/h3-10,13H,11H2,1-2H3,(H,20,23)/t13-/m0/s1

InChI Key

BMKWFWUYKUUDNI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14834368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

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

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.96

Polar Surface Area

38.797

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E002-0126 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Aging Library (44940 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E002-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0126?
Check Price and Availability of E002-0126, 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 E002-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0126
  • 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 E002-0126 available by request