8018-0274 Screening compound: 3-chloro-N~1~-(2-cyclohexyl-2-phenylethyl)-4-methylbenzamide

8018-0274 Screening compound: 3-chloro-N~1~-(2-cyclohexyl-2-phenylethyl)-4-methylbenzamide
8018-0274 Screening compound: 3-chloro-N~1~-(2-cyclohexyl-2-phenylethyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0274
3-chloro-N~1~-(2-cyclohexyl-2-phenylethyl)-4-methylbenzamide

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

8018-0274

Molecular Formula

C22H26ClNO (C22 H26 ClNO)

Compound Name

3-chloro-N~1~-(2-cyclohexyl-2-phenylethyl)-4-methylbenzamide

IUPAC name

3-chloro-N-(2-cyclohexyl-2-phenylethyl)-4-methylbenzamide

SMILES

Cc(ccc(C(NCC(C1CCCCC1)c1ccccc1)=O)c1)c1Cl

InChI

InChI=1S/C22H26ClNO/c1-16-12-13-19(14-21(16)23)22(25)24-15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,20H,3,6-7,10-11,15H2,1H3,(H,24,25)/t20-/m1/s1

InChI Key

GYWVUDPLBLELGJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07022000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.91

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.10

Polar Surface Area

24.572

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

8018-0274 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0274?
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What is the minimum amount of 8018-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0274
  • 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 8018-0274 available by request