E002-0981 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

E002-0981 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide
E002-0981 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0981
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

E002-0981

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-5-(3-methyl-1H-indazol-1-yl)-5-oxopentanamide

SMILES

Cc1nn(C(CCCC(NCCc(cc2)cc(OC)c2OC)=O)=O)c2c1cccc2

InChI

InChI=1S/C23H27N3O4/c1-16-18-7-4-5-8-19(18)26(25-16)23(28)10-6-9-22(27)24-14-13-17-11-12-20(29-2)21(15-17)30-3/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3,(H,24,27)

InChI Key

DPIQLFUWRLYHFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.355

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-2.23

Polar Surface Area

66.402

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E002-0981 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with E002-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0981?
Check Price and Availability of E002-0981, 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 E002-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0981
  • 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 E002-0981 available by request