8014-1585 Screening compound: 3-hydroxy-6,6-dimethyl-1-(4-methylphenyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indole-2,4-dione

8014-1585 Screening compound: 3-hydroxy-6,6-dimethyl-1-(4-methylphenyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indole-2,4-dione
8014-1585 Screening compound: 3-hydroxy-6,6-dimethyl-1-(4-methylphenyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1585
3-hydroxy-6,6-dimethyl-1-(4-methylphenyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indole-2,4-dione

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

8014-1585

Molecular Formula

C18H18F3NO3 (C18 H18 F3 NO3)

Compound Name

3-hydroxy-6,6-dimethyl-1-(4-methylphenyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indole-2,4-dione

IUPAC name

3-hydroxy-66-dimethyl-1-(4-methylphenyl)-3-(trifluoromethyl)-234567-hexahydro-1H-indole-24-dione

SMILES

CC(C)(CC(N(C1=O)c2ccc(C)cc2)=C2C1(C(F)(F)F)O)CC2=O

InChI

InChI=1S/C18H18F3NO3/c1-10-4-6-11(7-5-10)22-12-8-16(2,3)9-13(23)14(12)17(25,15(22)24)18(19,20)21/h4-7,25H,8-9H2,1-3H3/t17-/m0/s1

InChI Key

RWQBCKNJAKXHOQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03767801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-2.90

Polar Surface Area

43.839

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

8014-1585 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-1585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1585?
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What is the minimum amount of 8014-1585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1585
  • 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 8014-1585 available by request