7591-0884 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-methoxybenzamide

7591-0884 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-methoxybenzamide
7591-0884 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-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0884
N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-methoxybenzamide

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

7591-0884

Molecular Formula

C26H25F3N2O4 (C26 H25 F3 N2 O4)

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-methoxybenzamide

IUPAC name

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

SMILES

CC(C)(CC(N(Cc1ccccc1)C1=O)=C2C1(C(F)(F)F)NC(c1cc(OC)ccc1)=O)CC2=O

InChI

InChI=1S/C26H25F3N2O4/c1-24(2)13-19-21(20(32)14-24)25(26(27,28)29,23(34)31(19)15-16-8-5-4-6-9-16)30-22(33)17-10-7-11-18(12-17)35-3/h4-12H,13-15H2,1-3H3,(H,30,33)/t25-/m0/s1

InChI Key

DCCRCSMSJXOKDM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14712861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

0.610

Water Solubility, LogSw

-4.54

Polar Surface Area

61.866

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

7591-0884 in Drug Discovery

Included in Screening Libraries

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 7591-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0884?
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What is the minimum amount of 7591-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0884
  • 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 7591-0884 available by request