7591-0388 Screening compound: N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-2-methylbenzamide

7591-0388 Screening compound: N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-2-methylbenzamide
7591-0388 Screening compound: N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0388
N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-2-methylbenzamide

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

7591-0388

Molecular Formula

C24H23F3N2O4 (C24 H23 F3 N2 O4)

Compound Name

N-{1-[(furan-2-yl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-2-methylbenzamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl}-2-methylbenzamide

SMILES

CC(C)(CC(N(Cc1ccco1)C1=O)=C2C1(C(F)(F)F)NC(c1c(C)cccc1)=O)CC2=O

InChI

InChI=1S/C24H23F3N2O4/c1-14-7-4-5-9-16(14)20(31)28-23(24(25,26)27)19-17(11-22(2,3)12-18(19)30)29(21(23)32)13-15-8-6-10-33-15/h4-10H,11-13H2,1-3H3,(H,28,31)/t23-/m0/s1

InChI Key

HCVOMWOBZHFBAX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03941107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

-1.126

Water Solubility, LogSw

-4.13

Polar Surface Area

62.071

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

7591-0388 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 7591-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0388?
Check Price and Availability of 7591-0388, 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 7591-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0388
  • 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 7591-0388 available by request