7591-0771 Screening compound: N-[6,6-DIMETHYL-1-(2-METHYLPROPYL)-2,4-DIOXO-3-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-INDOL-3-YL]PROP-2-ENAMIDE

7591-0771 Screening compound: N-[6,6-DIMETHYL-1-(2-METHYLPROPYL)-2,4-DIOXO-3-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-INDOL-3-YL]PROP-2-ENAMIDE
7591-0771 Screening compound: N-[6,6-DIMETHYL-1-(2-METHYLPROPYL)-2,4-DIOXO-3-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-INDOL-3-YL]PROP-2-ENAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0771
N-[6,6-DIMETHYL-1-(2-METHYLPROPYL)-2,4-DIOXO-3-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-INDOL-3-YL]PROP-2-ENAMIDE

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

7591-0771

Molecular Formula

C18H23F3N2O3 (C18 H23 F3 N2 O3)

Compound Name

N-[6,6-DIMETHYL-1-(2-METHYLPROPYL)-2,4-DIOXO-3-(TRIFLUOROMETHYL)-2,3,4,5,6,7-HEXAHYDRO-1H-INDOL-3-YL]PROP-2-ENAMIDE

IUPAC name

n/a

SMILES

CC(C)CN(C(CC(C)(C)C1)=C(C2(C(F)(F)F)NC(C=C)=O)C1=O)C2=O

InChI

InChI=1S/C18H23F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h6,10H,1,7-9H2,2-5H3,(H,22,25)/t17-/m0/s1

InChI Key

NFJCQZBTTAROPM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14712847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

-1.085

Water Solubility, LogSw

-3.19

Polar Surface Area

54.652

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

7591-0771 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 7591-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0771?
Check Price and Availability of 7591-0771, 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 7591-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0771
  • 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 7591-0771 available by request