8602-0181 Screening compound: N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide

8602-0181 Screening compound: N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide
8602-0181 Screening compound: N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0181
N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide

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

8602-0181

Molecular Formula

C24H29F3N2O3 (C24 H29 F3 N2 O3)

Compound Name

N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide

IUPAC name

N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-23-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide

SMILES

CC(C(C1(C(F)(F)F)NC(CCC2CCCCC2)=O)=C(C)N(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C24H29F3N2O3/c1-16-21(17(2)30)23(24(25,26)27,22(32)29(16)15-19-11-7-4-8-12-19)28-20(31)14-13-18-9-5-3-6-10-18/h4,7-8,11-12,18H,3,5-6,9-10,13-15H2,1-2H3,(H,28,31)/t23-/m0/s1

InChI Key

LUIUUQDDQZBMIP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06177044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-4.44

Polar Surface Area

54.779

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

8602-0181 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8602-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0181?
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What is the minimum amount of 8602-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0181
  • 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 8602-0181 available by request