8004-4060 Screening compound: 2-chloro-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

8004-4060 Screening compound: 2-chloro-N-{[4-(propan-2-yl)phenyl]methyl}benzamide
8004-4060 Screening compound: 2-chloro-N-{[4-(propan-2-yl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4060
2-chloro-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

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

8004-4060

Molecular Formula

C17H18ClNO (C17 H18 ClNO)

Compound Name

2-chloro-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

IUPAC name

2-chloro-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

SMILES

CC(C)c1ccc(CNC(c(cccc2)c2Cl)=O)cc1

InChI

InChI=1S/C17H18ClNO/c1-12(2)14-9-7-13(8-10-14)11-19-17(20)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3,(H,19,20)

InChI Key

YCRKYXRRNNDGCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00787932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-4.81

Polar Surface Area

24.652

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8004-4060 in Drug Discovery

Included in Screening Libraries

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

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-4060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4060?
Check Price and Availability of 8004-4060, 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 8004-4060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4060
  • 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 8004-4060 available by request