7591-0796 Screening compound: 3-cyclohexyl-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}propanamide

7591-0796 Screening compound: 3-cyclohexyl-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}propanamide
7591-0796 Screening compound: 3-cyclohexyl-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0796
3-cyclohexyl-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}propanamide

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

7591-0796

Molecular Formula

C30H39F3N2O5 (C30 H39 F3 N2 O5)

Compound Name

3-cyclohexyl-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}propanamide

IUPAC name

3-cyclohexyl-N-{1-[2-(34-dimethoxyphenyl)ethyl]-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl}propanamide

SMILES

CC(C)(CC(N(CCc(cc1)cc(OC)c1OC)C1=O)=C2C1(C(F)(F)F)NC(CCC1CCCCC1)=O)CC2=O

InChI

InChI=1S/C30H39F3N2O5/c1-28(2)17-21-26(22(36)18-28)29(30(31,32)33,34-25(37)13-11-19-8-6-5-7-9-19)27(38)35(21)15-14-20-10-12-23(39-3)24(16-20)40-4/h10,12,16,19H,5-9,11,13-15,17-18H2,1-4H3,(H,34,37)/t29-/m0/s1

InChI Key

JLLHSGWFNMJMBB-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14712849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-5.09

Polar Surface Area

69.540

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.30

7591-0796 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 7591-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0796?
Check Price and Availability of 7591-0796, 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 7591-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0796
  • 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 7591-0796 available by request