7591-0712 Screening compound: N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-methylbutanamide

7591-0712 Screening compound: N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-methylbutanamide
7591-0712 Screening compound: N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0712
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-methylbutanamide

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

7591-0712

Molecular Formula

C20H29F3N2O3 (C20 H29 F3 N2 O3)

Compound Name

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

IUPAC name

N-[1-butyl-66-dimethyl-24-dioxo-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl]-3-methylbutanamide

SMILES

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

InChI

InChI=1S/C20H29F3N2O3/c1-6-7-8-25-13-10-18(4,5)11-14(26)16(13)19(17(25)28,20(21,22)23)24-15(27)9-12(2)3/h12H,6-11H2,1-5H3,(H,24,27)/t19-/m0/s1

InChI Key

FCFOQDQBRPDGRI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04088876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

0.491

Water Solubility, LogSw

-3.82

Polar Surface Area

54.631

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

7591-0712 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7591-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0712?
Check Price and Availability of 7591-0712, 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 7591-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0712
  • 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 7591-0712 available by request