8602-0404 Screening compound: N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-4-tert-butylbenzamide

8602-0404 Screening compound: N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-4-tert-butylbenzamide
8602-0404 Screening compound: N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0404
N-[4-acetyl-1-cyclopentyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-4-tert-butylbenzamide

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

8602-0404

Molecular Formula

C24H29F3N2O3 (C24 H29 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(NC(C(F)(F)F)(C(C(C)=O)=C(C)N1C2CCCC2)C1=O)=O

InChI

InChI=1S/C24H29F3N2O3/c1-14-19(15(2)30)23(24(25,26)27,21(32)29(14)18-8-6-7-9-18)28-20(31)16-10-12-17(13-11-16)22(3,4)5/h10-13,18H,6-9H2,1-5H3,(H,28,31)/t23-/m0/s1

InChI Key

GFYKNXQGMIPILJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06177065

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

0.185

Water Solubility, LogSw

-4.47

Polar Surface Area

54.388

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

8602-0404 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8602-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0404?
Check Price and Availability of 8602-0404, 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 8602-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0404
  • 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 8602-0404 available by request