7591-0513 Screening compound: N-[6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2,2-dimethylpropanamide

7591-0513 Screening compound: N-[6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2,2-dimethylpropanamide
7591-0513 Screening compound: N-[6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0513
N-[6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2,2-dimethylpropanamide

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

7591-0513

Molecular Formula

C23H24F6N2O3 (C23 H24 F6 N2 O3)

Compound Name

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

IUPAC name

N-[66-dimethyl-24-dioxo-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-234567-hexahydro-1H-indol-3-yl]-22-dimethylpropanamide

SMILES

CC(C)(C)C(NC(C(F)(F)F)(C(C(CC(C)(C)C1)=O)=C1N1c2cccc(C(F)(F)F)c2)C1=O)=O

InChI

InChI=1S/C23H24F6N2O3/c1-19(2,3)17(33)30-21(23(27,28)29)16-14(10-20(4,5)11-15(16)32)31(18(21)34)13-8-6-7-12(9-13)22(24,25)26/h6-9H,10-11H2,1-5H3,(H,30,33)/t21-/m0/s1

InChI Key

SRJVVSCDSSVOGH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03861604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

-0.292

Water Solubility, LogSw

-4.48

Polar Surface Area

53.983

Acid Dissociation Constant (pKa)

2.74

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with 7591-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0513?
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What is the minimum amount of 7591-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0513
  • 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 7591-0513 available by request