8017-8806 Screening compound: N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

8017-8806 Screening compound: N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
8017-8806 Screening compound: N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8806
N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)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

8017-8806

Molecular Formula

C12H13N3O4S (C12 H13 N3 O4 S)

Compound Name

N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

IUPAC name

N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

SMILES

[O-][N+](c(cc1)ccc1NC(CC1SCCNC1=O)=O)=O

InChI

InChI=1S/C12H13N3O4S/c16-11(7-10-12(17)13-5-6-20-10)14-8-1-3-9(4-2-8)15(18)19/h1-4,10H,5-7H2,(H,13,17)(H,14,16)/t10-/m0/s1

InChI Key

BAVCBFHHIXRAFP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06612766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.828

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-2.31

Polar Surface Area

81.770

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8017-8806 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8806?
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What is the minimum amount of 8017-8806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8806
  • 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 8017-8806 available by request