4031-1351 Screening compound: N'-[(4-chlorophenyl)methyl]-N-cyclopentylethanediamide

4031-1351 Screening compound: N'-[(4-chlorophenyl)methyl]-N-cyclopentylethanediamide
4031-1351 Screening compound: N'-[(4-chlorophenyl)methyl]-N-cyclopentylethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-1351
N'-[(4-chlorophenyl)methyl]-N-cyclopentylethanediamide

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

4031-1351

Molecular Formula

C14H17ClN2O2 (C14 H17 ClN2 O2)

Compound Name

N'-[(4-chlorophenyl)methyl]-N-cyclopentylethanediamide

IUPAC name

N'-[(4-chlorophenyl)methyl]-N-cyclopentylethanediamide

SMILES

O=C(C(NC1CCCC1)=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C14H17ClN2O2/c15-11-7-5-10(6-8-11)9-16-13(18)14(19)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,18)(H,17,19)

InChI Key

WFGSSQAFJYGAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00979123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-3.12

Polar Surface Area

49.428

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4031-1351 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4031-1351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-1351?
Check Price and Availability of 4031-1351, 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 4031-1351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-1351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-1351
  • 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 4031-1351 available by request