8602-0401 Screening compound: N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide

8602-0401 Screening compound: N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide
8602-0401 Screening compound: N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0401
N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide

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

8602-0401

Molecular Formula

C18H25F3N2O3 (C18 H25 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(NC(C(F)(F)F)(C(C(C)=O)=C(C)N1C2CCCC2)C1=O)=O

InChI

InChI=1S/C18H25F3N2O3/c1-4-5-10-14(25)22-17(18(19,20)21)15(12(3)24)11(2)23(16(17)26)13-8-6-7-9-13/h13H,4-10H2,1-3H3,(H,22,25)/t17-/m0/s1

InChI Key

QALRTRHMTRZCAP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06177063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

-0.535

Water Solubility, LogSw

-2.71

Polar Surface Area

54.446

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

References: we are preparing a list of scientific research reports with 8602-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0401?
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What is the minimum amount of 8602-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0401
  • 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 8602-0401 available by request