1725-0091 Screening compound: N-benzyl-12-(5-methylthiophen-2-yl)dodecanamide

1725-0091 Screening compound: N-benzyl-12-(5-methylthiophen-2-yl)dodecanamide
1725-0091 Screening compound: N-benzyl-12-(5-methylthiophen-2-yl)dodecanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1725-0091
N-benzyl-12-(5-methylthiophen-2-yl)dodecanamide

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

1725-0091

Molecular Formula

C24H35NOS (C24 H35 NOS)

Compound Name

N-benzyl-12-(5-methylthiophen-2-yl)dodecanamide

IUPAC name

N-benzyl-12-(5-methylthiophen-2-yl)dodecanamide

SMILES

Cc1ccc(CCCCCCCCCCCC(NCc2ccccc2)=O)s1

InChI

InChI=1S/C24H35NOS/c1-21-18-19-23(27-21)16-12-7-5-3-2-4-6-8-13-17-24(26)25-20-22-14-10-9-11-15-22/h9-11,14-15,18-19H,2-8,12-13,16-17,20H2,1H3,(H,25,26)

InChI Key

GGDFJOWRGBQOEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.169

Distribution Coefficient, logD

7.169

Water Solubility, LogSw

-5.59

Polar Surface Area

25.457

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

1725-0091 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1725-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1725-0091?
Check Price and Availability of 1725-0091, 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 1725-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1725-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1725-0091
  • 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 1725-0091 available by request