8008-4554 Screening compound: N-cyclohexyl-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide

8008-4554 Screening compound: N-cyclohexyl-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide
8008-4554 Screening compound: N-cyclohexyl-2-(2,2-diphenylacetamido)-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4554
N-cyclohexyl-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

8008-4554

Molecular Formula

C31H33N3O2 (C31 H33 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(Cc1c[nH]c2c1cccc2)NC(C(c1ccccc1)c1ccccc1)=O)NC1CCCCC1

InChI

InChI=1S/C31H33N3O2/c35-30(33-25-16-8-3-9-17-25)28(20-24-21-32-27-19-11-10-18-26(24)27)34-31(36)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-2,4-7,10-15,18-19,21,25,28-29,32H,3,8-9,16-17,20H2,(H,33,35)(H,34,36)/t28-/m0/s1

InChI Key

JTEIKSXOXPVUNG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01024060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

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

6.086

Distribution Coefficient, logD

6.086

Water Solubility, LogSw

-6.14

Polar Surface Area

58.020

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

8008-4554 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-4554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4554?
Check Price and Availability of 8008-4554, 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 8008-4554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4554
  • 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 8008-4554 available by request