3138-0454 Screening compound: 4-acetamido-N-(2-oxothiolan-3-yl)benzamide

3138-0454 Screening compound: 4-acetamido-N-(2-oxothiolan-3-yl)benzamide
3138-0454 Screening compound: 4-acetamido-N-(2-oxothiolan-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3138-0454
4-acetamido-N-(2-oxothiolan-3-yl)benzamide

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

3138-0454

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

4-acetamido-N-(2-oxothiolan-3-yl)benzamide

IUPAC name

4-acetamido-N-(2-oxothiolan-3-yl)benzamide

SMILES

CC(Nc(cc1)ccc1C(NC(CCS1)C1=O)=O)=O

InChI

InChI=1S/C13H14N2O3S/c1-8(16)14-10-4-2-9(3-5-10)12(17)15-11-6-7-19-13(11)18/h2-5,11H,6-7H2,1H3,(H,14,16)(H,15,17)/t11-/m1/s1

InChI Key

HKOMUYMBQWNZTD-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02226061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.466

Distribution Coefficient, logD

0.160

Water Solubility, LogSw

-1.82

Polar Surface Area

61.468

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 3138-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3138-0454?
Check Price and Availability of 3138-0454, 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 3138-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3138-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3138-0454
  • 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 3138-0454 available by request