8602-0137 Screening compound: N-[4-benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide

8602-0137 Screening compound: N-[4-benzoyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-cyclohexylpropanamide
8602-0137 Screening compound: N-[4-benzoyl-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 8602-0137
N-[4-benzoyl-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

8602-0137

Molecular Formula

C29H31F3N2O3 (C29 H31 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N(Cc1ccccc1)C(C1(C(F)(F)F)NC(CCC2CCCCC2)=O)=O)=C1C(c1ccccc1)=O

InChI

InChI=1S/C29H31F3N2O3/c1-20-25(26(36)23-15-9-4-10-16-23)28(29(30,31)32,27(37)34(20)19-22-13-7-3-8-14-22)33-24(35)18-17-21-11-5-2-6-12-21/h3-4,7-10,13-16,21H,2,5-6,11-12,17-19H2,1H3,(H,33,35)/t28-/m0/s1

InChI Key

VDFYVKCSGKVSBI-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD08098230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.231

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-5.56

Polar Surface Area

54.419

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-6.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

8602-0137 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8602-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0137?
Check Price and Availability of 8602-0137, 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 8602-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0137
  • 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 8602-0137 available by request