4553-3690 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)acetamide

4553-3690 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)acetamide
4553-3690 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-3690
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)acetamide

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

4553-3690

Molecular Formula

C13H15NO4S (C13 H15 NO4 S)

Compound Name

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

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-methoxyphenyl)acetamide

SMILES

CC(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1OC)=O

InChI

InChI=1S/C13H15NO4S/c1-10(15)14(12-7-8-19(16,17)9-12)11-3-5-13(18-2)6-4-11/h3-8,12H,9H2,1-2H3/t12-/m0/s1

InChI Key

OVSAFXHRWCBRCN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00720591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.715

Distribution Coefficient, logD

0.715

Water Solubility, LogSw

-2.00

Polar Surface Area

51.663

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

4553-3690 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 4553-3690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-3690?
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What is the minimum amount of 4553-3690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-3690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-3690
  • 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 4553-3690 available by request