8013-6317 Screening compound: N~1~-(1-ethyl-1-methyl-2-propynyl)-2-phenylacetamide

8013-6317 Screening compound: N~1~-(1-ethyl-1-methyl-2-propynyl)-2-phenylacetamide
8013-6317 Screening compound: N~1~-(1-ethyl-1-methyl-2-propynyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6317
N~1~-(1-ethyl-1-methyl-2-propynyl)-2-phenylacetamide

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

8013-6317

Molecular Formula

C14H17NO (C14 H17 NO)

Compound Name

N~1~-(1-ethyl-1-methyl-2-propynyl)-2-phenylacetamide

IUPAC name

N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide

SMILES

CCC(C)(C#C)NC(Cc1ccccc1)=O

InChI

InChI=1S/C14H17NO/c1-4-14(3,5-2)15-13(16)11-12-9-7-6-8-10-12/h1,6-10H,5,11H2,2-3H3,(H,15,16)/t14-/m1/s1

InChI Key

MHDWGTMDKXUYML-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03767157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.77

Polar Surface Area

24.468

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

8013-6317 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-6317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6317?
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What is the minimum amount of 8013-6317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6317
  • 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 8013-6317 available by request