7591-0358 Screening compound: N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-methylbenzamide

7591-0358 Screening compound: N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-methylbenzamide
7591-0358 Screening compound: N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0358
N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-methylbenzamide

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

7591-0358

Molecular Formula

C26H25F3N2O3 (C26 H25 F3 N2 O3)

Compound Name

N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-methylbenzamide

IUPAC name

N-[66-dimethyl-1-(4-methylphenyl)-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl]-4-methylbenzamide

SMILES

CC(C)(CC(N(C1=O)c2ccc(C)cc2)=C2C1(C(F)(F)F)NC(c1ccc(C)cc1)=O)CC2=O

InChI

InChI=1S/C26H25F3N2O3/c1-15-5-9-17(10-6-15)22(33)30-25(26(27,28)29)21-19(13-24(3,4)14-20(21)32)31(23(25)34)18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-4H3,(H,30,33)/t25-/m0/s1

InChI Key

JPRHQWHBVHPOOZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03941083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

-0.998

Water Solubility, LogSw

-4.57

Polar Surface Area

53.711

Acid Dissociation Constant (pKa)

1.64

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

7591-0358 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 7591-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0358?
Check Price and Availability of 7591-0358, 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 7591-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0358
  • 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 7591-0358 available by request