7591-0502 Screening compound: N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-fluorobenzamide

7591-0502 Screening compound: N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-fluorobenzamide
7591-0502 Screening compound: N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0502
N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-fluorobenzamide

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

7591-0502

Molecular Formula

C26H24F4N2O3 (C26 H24 F4 N2 O3)

Compound Name

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

IUPAC name

N-[1-(34-dimethylphenyl)-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl]-2-fluorobenzamide

SMILES

CC(C)(CC(N(C1=O)c2cc(C)c(C)cc2)=C2C1(C(F)(F)F)NC(c(cccc1)c1F)=O)CC2=O

InChI

InChI=1S/C26H24F4N2O3/c1-14-9-10-16(11-15(14)2)32-19-12-24(3,4)13-20(33)21(19)25(23(32)35,26(28,29)30)31-22(34)17-7-5-6-8-18(17)27/h5-11H,12-13H2,1-4H3,(H,31,34)/t25-/m0/s1

InChI Key

FKSOPCVQCVZPMY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03941198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

-1.568

Water Solubility, LogSw

-4.68

Polar Surface Area

53.711

Acid Dissociation Constant (pKa)

0.80

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

7591-0502 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 7591-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0502?
Check Price and Availability of 7591-0502, 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 7591-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0502
  • 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 7591-0502 available by request