8602-0390 Screening compound: N-[4-acetyl-1-cyclohexyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide

8602-0390 Screening compound: N-[4-acetyl-1-cyclohexyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide
8602-0390 Screening compound: N-[4-acetyl-1-cyclohexyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0390
N-[4-acetyl-1-cyclohexyl-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

8602-0390

Molecular Formula

C19H27F3N2O3 (C19 H27 F3 N2 O3)

Compound Name

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

IUPAC name

N-[4-acetyl-1-cyclohexyl-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)N1C2CCCCC2)C1=O)=O

InChI

InChI=1S/C19H27F3N2O3/c1-4-5-11-15(26)23-18(19(20,21)22)16(13(3)25)12(2)24(17(18)27)14-9-7-6-8-10-14/h14H,4-11H2,1-3H3,(H,23,26)/t18-/m0/s1

InChI Key

JXBKRUXJQUFZSN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06177049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

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

3.190

Distribution Coefficient, logD

0.051

Water Solubility, LogSw

-3.03

Polar Surface Area

54.080

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.70

8602-0390 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8602-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0390?
Check Price and Availability of 8602-0390, 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 8602-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0390
  • 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 8602-0390 available by request