7591-0692 Screening compound: 3,4-dimethoxy-N-[1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide

7591-0692 Screening compound: 3,4-dimethoxy-N-[1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
7591-0692 Screening compound: 3,4-dimethoxy-N-[1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0692
3,4-dimethoxy-N-[1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide

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

7591-0692

Molecular Formula

C27H27F3N2O6 (C27 H27 F3 N2 O6)

Compound Name

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

IUPAC name

34-dimethoxy-N-[1-(4-methoxyphenyl)-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl]benzamide

SMILES

CC(C)(CC(N(C1=O)c(cc2)ccc2OC)=C2C1(C(F)(F)F)NC(c(cc1)cc(OC)c1OC)=O)CC2=O

InChI

InChI=1S/C27H27F3N2O6/c1-25(2)13-18-22(19(33)14-25)26(27(28,29)30,24(35)32(18)16-7-9-17(36-3)10-8-16)31-23(34)15-6-11-20(37-4)21(12-15)38-5/h6-12H,13-14H2,1-5H3,(H,31,34)/t26-/m0/s1

InChI Key

XLCXKRWSNMUWOB-SANMLTNESA-N

MDL Number (MFCD)

MFCD06018460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

-1.226

Water Solubility, LogSw

-3.82

Polar Surface Area

76.516

Acid Dissociation Constant (pKa)

2.65

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

7591-0692 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 7591-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0692?
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What is the minimum amount of 7591-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0692
  • 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 7591-0692 available by request