E002-1236 Screening compound: N-[(2-chlorophenyl)methyl]-4-(1H-indazol-1-yl)-4-oxobutanamide

E002-1236 Screening compound: N-[(2-chlorophenyl)methyl]-4-(1H-indazol-1-yl)-4-oxobutanamide
E002-1236 Screening compound: N-[(2-chlorophenyl)methyl]-4-(1H-indazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1236
N-[(2-chlorophenyl)methyl]-4-(1H-indazol-1-yl)-4-oxobutanamide

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

E002-1236

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

N-[(2-chlorophenyl)methyl]-4-(1H-indazol-1-yl)-4-oxobutanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-(1H-indazol-1-yl)-4-oxobutanamide

SMILES

O=C(CCC(n1ncc2c1cccc2)=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C18H16ClN3O2/c19-15-7-3-1-5-13(15)11-20-17(23)9-10-18(24)22-16-8-4-2-6-14(16)12-21-22/h1-8,12H,9-11H2,(H,20,23)

InChI Key

YBOLJVQKKTUOML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-3.25

Polar Surface Area

50.946

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E002-1236 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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 E002-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1236?
Check Price and Availability of E002-1236, 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 E002-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1236
  • 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 E002-1236 available by request