7591-0488 Screening compound: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide

7591-0488 Screening compound: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide
7591-0488 Screening compound: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0488
N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide

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

7591-0488

Molecular Formula

C25H22ClF3N2O3 (C25 H22 ClF3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC(N(Cc1ccccc1)C1=O)=C2C1(C(F)(F)F)NC(c1cccc(Cl)c1)=O)CC2=O

InChI

InChI=1S/C25H22ClF3N2O3/c1-23(2)12-18-20(19(32)13-23)24(25(27,28)29,30-21(33)16-9-6-10-17(26)11-16)22(34)31(18)14-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3,(H,30,33)/t24-/m0/s1

InChI Key

XSHJJMIDAIUSMT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03941187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.91

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

5.055

Distribution Coefficient, logD

-0.295

Water Solubility, LogSw

-5.21

Polar Surface Area

54.323

Acid Dissociation Constant (pKa)

2.05

Base Dissociation Constant (pKb)

-6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

7591-0488 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 7591-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0488?
Check Price and Availability of 7591-0488, 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 7591-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0488
  • 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 7591-0488 available by request