6948-4459 Screening compound: 2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-N-(2,5-dimethylphenyl)acetamide

6948-4459 Screening compound: 2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-N-(2,5-dimethylphenyl)acetamide
6948-4459 Screening compound: 2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-N-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4459
2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-N-(2,5-dimethylphenyl)acetamide

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

6948-4459

Molecular Formula

C25H28N2O2 (C25 H28 N2 O2)

Compound Name

2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-N-(2,5-dimethylphenyl)acetamide

IUPAC name

2-(3-cyclohexanecarbonyl-1H-indol-1-yl)-N-(25-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(Cn2c(cccc3)c3c(C(C3CCCCC3)=O)c2)=O)c(C)cc1

InChI

InChI=1S/C25H28N2O2/c1-17-12-13-18(2)22(14-17)26-24(28)16-27-15-21(20-10-6-7-11-23(20)27)25(29)19-8-4-3-5-9-19/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3,(H,26,28)

InChI Key

LGJWFKGWTXMQMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04383570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-4.95

Polar Surface Area

38.081

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

6948-4459 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6948-4459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4459?
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What is the minimum amount of 6948-4459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4459
  • 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 6948-4459 available by request