E002-0977 Screening compound: N-[(2-ethoxyphenyl)methyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

E002-0977 Screening compound: N-[(2-ethoxyphenyl)methyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide
E002-0977 Screening compound: N-[(2-ethoxyphenyl)methyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0977
N-[(2-ethoxyphenyl)methyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

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

E002-0977

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

N-[(2-ethoxyphenyl)methyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

SMILES

CCOc1c(CNC(CCCC(n2nc(C)c3c2cccc3)=O)=O)cccc1

InChI

InChI=1S/C22H25N3O3/c1-3-28-20-12-7-4-9-17(20)15-23-21(26)13-8-14-22(27)25-19-11-6-5-10-18(19)16(2)24-25/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,23,26)

InChI Key

PHOCCBOMWWMDPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-2.82

Polar Surface Area

58.510

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E002-0977 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E002-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0977?
Check Price and Availability of E002-0977, 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 E002-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0977
  • 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 E002-0977 available by request