8016-3058 Screening compound: 2-(acetylamino)-3-(1H-indol-3-yl)-N~1~-{2-[4-(1-methyl-1-phenylethyl)phenoxy]ethyl}propanamide

8016-3058 Screening compound: 2-(acetylamino)-3-(1H-indol-3-yl)-N~1~-{2-[4-(1-methyl-1-phenylethyl)phenoxy]ethyl}propanamide
8016-3058 Screening compound: 2-(acetylamino)-3-(1H-indol-3-yl)-N~1~-{2-[4-(1-methyl-1-phenylethyl)phenoxy]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3058
2-(acetylamino)-3-(1H-indol-3-yl)-N~1~-{2-[4-(1-methyl-1-phenylethyl)phenoxy]ethyl}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

8016-3058

Molecular Formula

C30H33N3O3 (C30 H33 N3 O3)

Compound Name

2-(acetylamino)-3-(1H-indol-3-yl)-N~1~-{2-[4-(1-methyl-1-phenylethyl)phenoxy]ethyl}propanamide

IUPAC name

2-acetamido-3-(1H-indol-3-yl)-N-{2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl}propanamide

SMILES

CC(C)(c1ccccc1)c(cc1)ccc1OCCNC(C(Cc1c[nH]c2c1cccc2)NC(C)=O)=O

InChI

InChI=1S/C30H33N3O3/c1-21(34)33-28(19-22-20-32-27-12-8-7-11-26(22)27)29(35)31-17-18-36-25-15-13-24(14-16-25)30(2,3)23-9-5-4-6-10-23/h4-16,20,28,32H,17-19H2,1-3H3,(H,31,35)(H,33,34)/t28-/m0/s1

InChI Key

AHEWGZPOHSMAIU-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD05130824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.75

Polar Surface Area

65.725

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

8016-3058 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Proteases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-3058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3058?
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What is the minimum amount of 8016-3058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3058
  • 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 8016-3058 available by request