5191-0280 Screening compound: N~1~-(1-phenylethyl)-N~2~-(2-thienylmethyl)ethanediamide

5191-0280 Screening compound: N~1~-(1-phenylethyl)-N~2~-(2-thienylmethyl)ethanediamide
5191-0280 Screening compound: N~1~-(1-phenylethyl)-N~2~-(2-thienylmethyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5191-0280
N~1~-(1-phenylethyl)-N~2~-(2-thienylmethyl)ethanediamide

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

5191-0280

Molecular Formula

C15H16N2O2S (C15 H16 N2 O2 S)

Compound Name

N~1~-(1-phenylethyl)-N~2~-(2-thienylmethyl)ethanediamide

IUPAC name

n/a

SMILES

CC(c1ccccc1)NC(C(NCc1cccs1)=O)=O

InChI

InChI=1S/C15H16N2O2S/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,18)(H,17,19)/t11-/m0/s1

InChI Key

HQDVRRSWFGRISJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD03272164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.53

Polar Surface Area

49.518

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5191-0280 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5191-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5191-0280?
Check Price and Availability of 5191-0280, 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 5191-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5191-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5191-0280
  • 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 5191-0280 available by request