7591-0663 Screening compound: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-phenylpropanamide

7591-0663 Screening compound: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-phenylpropanamide
7591-0663 Screening compound: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0663
N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-phenylpropanamide

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

7591-0663

Molecular Formula

C27H27F3N2O3 (C27 H27 F3 N2 O3)

Compound Name

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

IUPAC name

N-[1-benzyl-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl]-3-phenylpropanamide

SMILES

CC(C)(CC(N(Cc1ccccc1)C1=O)=C2C1(C(F)(F)F)NC(CCc1ccccc1)=O)CC2=O

InChI

InChI=1S/C27H27F3N2O3/c1-25(2)15-20-23(21(33)16-25)26(27(28,29)30,24(35)32(20)17-19-11-7-4-8-12-19)31-22(34)14-13-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3,(H,31,34)/t26-/m0/s1

InChI Key

NWCCLUMHSFPUHJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD06000976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-4.53

Polar Surface Area

54.109

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

-7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

7591-0663 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 7591-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0663?
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What is the minimum amount of 7591-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0663
  • 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 7591-0663 available by request