E002-0561 Screening compound: 2-(4-chloro-1H-indazol-1-yl)-N-(2-phenylethyl)acetamide

E002-0561 Screening compound: 2-(4-chloro-1H-indazol-1-yl)-N-(2-phenylethyl)acetamide
E002-0561 Screening compound: 2-(4-chloro-1H-indazol-1-yl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0561
2-(4-chloro-1H-indazol-1-yl)-N-(2-phenylethyl)acetamide

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

E002-0561

Molecular Formula

C17H16ClN3O (C17 H16 ClN3 O)

Compound Name

2-(4-chloro-1H-indazol-1-yl)-N-(2-phenylethyl)acetamide

IUPAC name

2-(4-chloro-1H-indazol-1-yl)-N-(2-phenylethyl)acetamide

SMILES

O=C(Cn(c1ccc2)ncc1c2Cl)NCCc1ccccc1

InChI

InChI=1S/C17H16ClN3O/c18-15-7-4-8-16-14(15)11-20-21(16)12-17(22)19-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,22)

InChI Key

DNBAEUZHJKYMIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.79

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

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.30

Polar Surface Area

37.983

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E002-0561 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0561?
Check Price and Availability of E002-0561, 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 E002-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0561
  • 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 E002-0561 available by request