E002-0131 Screening compound: N-cyclopentyl-2-(3-methyl-1H-indazol-1-yl)propanamide

E002-0131 Screening compound: N-cyclopentyl-2-(3-methyl-1H-indazol-1-yl)propanamide
E002-0131 Screening compound: N-cyclopentyl-2-(3-methyl-1H-indazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0131
N-cyclopentyl-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

E002-0131

Molecular Formula

C16H21N3O (C16 H21 N3 O)

Compound Name

N-cyclopentyl-2-(3-methyl-1H-indazol-1-yl)propanamide

IUPAC name

N-cyclopentyl-2-(3-methyl-1H-indazol-1-yl)propanamide

SMILES

CC(C(NC1CCCC1)=O)n1nc(C)c2c1cccc2

InChI

InChI=1S/C16H21N3O/c1-11-14-9-5-6-10-15(14)19(18-11)12(2)16(20)17-13-7-3-4-8-13/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1

InChI Key

BATOOGPAPCFDDB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14834373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-2.84

Polar Surface Area

38.888

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E002-0131 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E002-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0131?
Check Price and Availability of E002-0131, 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 E002-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0131
  • 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 E002-0131 available by request