4554-4828 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)-2-phenoxyacetamide

4554-4828 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)-2-phenoxyacetamide
4554-4828 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-4828
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)-2-phenoxyacetamide

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

4554-4828

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)-2-phenoxyacetamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-methylphenyl)-2-phenoxyacetamide

SMILES

Cc(cc1)ccc1N(C(C1)C=CS1(=O)=O)C(COc1ccccc1)=O

InChI

InChI=1S/C19H19NO4S/c1-15-7-9-16(10-8-15)20(17-11-12-25(22,23)14-17)19(21)13-24-18-5-3-2-4-6-18/h2-12,17H,13-14H2,1H3/t17-/m0/s1

InChI Key

NPDQTMROOATGIZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02731060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.56

Polar Surface Area

50.351

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

4554-4828 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4554-4828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-4828?
Check Price and Availability of 4554-4828, 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 4554-4828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-4828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-4828
  • 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 4554-4828 available by request