8602-0142 Screening compound: N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}cyclohexanecarboxamide

8602-0142 Screening compound: N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}cyclohexanecarboxamide
8602-0142 Screening compound: N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0142
N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}cyclohexanecarboxamide

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

8602-0142

Molecular Formula

C23H27F3N2O4 (C23 H27 F3 N2 O4)

Compound Name

N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}cyclohexanecarboxamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl}cyclohexanecarboxamide

SMILES

CC(C)(CC(N(Cc1ccco1)C1=O)=C2C1(C(F)(F)F)NC(C1CCCCC1)=O)CC2=O

InChI

InChI=1S/C23H27F3N2O4/c1-21(2)11-16-18(17(29)12-21)22(23(24,25)26,27-19(30)14-7-4-3-5-8-14)20(31)28(16)13-15-9-6-10-32-15/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H,27,30)/t22-/m0/s1

InChI Key

RXQPOKSEGTUPJH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06003395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-3.96

Polar Surface Area

62.263

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

8602-0142 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8602-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0142?
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What is the minimum amount of 8602-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0142
  • 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 8602-0142 available by request