E002-0297 Screening compound: N-cycloheptyl-4-(6-methyl-1H-indazol-1-yl)butanamide

E002-0297 Screening compound: N-cycloheptyl-4-(6-methyl-1H-indazol-1-yl)butanamide
E002-0297 Screening compound: N-cycloheptyl-4-(6-methyl-1H-indazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0297
N-cycloheptyl-4-(6-methyl-1H-indazol-1-yl)butanamide

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

E002-0297

Molecular Formula

C19H27N3O (C19 H27 N3 O)

Compound Name

N-cycloheptyl-4-(6-methyl-1H-indazol-1-yl)butanamide

IUPAC name

N-cycloheptyl-4-(6-methyl-1H-indazol-1-yl)butanamide

SMILES

Cc1cc(n(CCCC(NC2CCCCCC2)=O)nc2)c2cc1

InChI

InChI=1S/C19H27N3O/c1-15-10-11-16-14-20-22(18(16)13-15)12-6-9-19(23)21-17-7-4-2-3-5-8-17/h10-11,13-14,17H,2-9,12H2,1H3,(H,21,23)

InChI Key

PJYZWKALYYXGJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.45

Polar Surface Area

38.177

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

E002-0297 in Drug Discovery

Included in Screening Libraries

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

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E002-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0297?
Check Price and Availability of E002-0297, 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 E002-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0297
  • 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 E002-0297 available by request