E002-0509 Screening compound: 2-(6-chloro-1H-indazol-1-yl)-N-cycloheptylacetamide

E002-0509 Screening compound: 2-(6-chloro-1H-indazol-1-yl)-N-cycloheptylacetamide
E002-0509 Screening compound: 2-(6-chloro-1H-indazol-1-yl)-N-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0509
2-(6-chloro-1H-indazol-1-yl)-N-cycloheptylacetamide

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

E002-0509

Molecular Formula

C16H20ClN3O (C16 H20 ClN3 O)

Compound Name

2-(6-chloro-1H-indazol-1-yl)-N-cycloheptylacetamide

IUPAC name

2-(6-chloro-1H-indazol-1-yl)-N-cycloheptylacetamide

SMILES

O=C(Cn1ncc(cc2)c1cc2Cl)NC1CCCCCC1

InChI

InChI=1S/C16H20ClN3O/c17-13-8-7-12-10-18-20(15(12)9-13)11-16(21)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,19,21)

InChI Key

UCBJWHIOBOTDLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.81

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

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.18

Polar Surface Area

38.198

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E002-0509 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E002-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0509?
Check Price and Availability of E002-0509, 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 E002-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0509
  • 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 E002-0509 available by request