1492-0127 Screening compound: N-(morpholine-4-carbothioyl)-4-nitrobenzamide

1492-0127 Screening compound: N-(morpholine-4-carbothioyl)-4-nitrobenzamide
1492-0127 Screening compound: N-(morpholine-4-carbothioyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1492-0127
N-(morpholine-4-carbothioyl)-4-nitrobenzamide

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

1492-0127

Molecular Formula

C12H13N3O4S (C12 H13 N3 O4 S)

Compound Name

N-(morpholine-4-carbothioyl)-4-nitrobenzamide

IUPAC name

N-(morpholine-4-carbothioyl)-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NC(N1CCOCC1)=S)=O)=O

InChI

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

InChI Key

KBQNYCRXGJDAIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00268545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

1.356

Water Solubility, LogSw

-2.38

Polar Surface Area

66.606

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1492-0127 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1492-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1492-0127?
Check Price and Availability of 1492-0127, 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 1492-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1492-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1492-0127
  • 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 1492-0127 available by request