8008-4553 Screening compound: N-(2,4-dimethylphenyl)-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide

8008-4553 Screening compound: N-(2,4-dimethylphenyl)-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide
8008-4553 Screening compound: N-(2,4-dimethylphenyl)-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4553
N-(2,4-dimethylphenyl)-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide

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

8008-4553

Molecular Formula

C33H31N3O2 (C33 H31 N3 O2)

Compound Name

N-(2,4-dimethylphenyl)-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide

IUPAC name

N-(24-dimethylphenyl)-2-(22-diphenylacetamido)-3-(1H-indol-3-yl)propanamide

SMILES

Cc(cc1)cc(C)c1NC(C(Cc1c[nH]c2c1cccc2)NC(C(c1ccccc1)c1ccccc1)=O)=O

InChI

InChI=1S/C33H31N3O2/c1-22-17-18-28(23(2)19-22)35-32(37)30(20-26-21-34-29-16-10-9-15-27(26)29)36-33(38)31(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-19,21,30-31,34H,20H2,1-2H3,(H,35,37)(H,36,38)/t30-/m0/s1

InChI Key

LRTXSBYYVQOFFF-PMERELPUSA-N

MDL Number (MFCD)

MFCD01080525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.622

Distribution Coefficient, logD

6.622

Water Solubility, LogSw

-5.87

Polar Surface Area

56.275

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.20

8008-4553 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4553?
Check Price and Availability of 8008-4553, 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 8008-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4553
  • 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 8008-4553 available by request