8006-2874 Screening compound: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)morpholine

8006-2874 Screening compound: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)morpholine
8006-2874 Screening compound: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2874
4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)morpholine

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

8006-2874

Molecular Formula

C13H11ClN2O4S (C13 H11 ClN2 O4 S)

Compound Name

4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)morpholine

IUPAC name

4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)morpholine

SMILES

[O-][N+](c(cc1)cc2c1c(Cl)c(C(N1CCOCC1)=O)s2)=O

InChI

InChI=1S/C13H11ClN2O4S/c14-11-9-2-1-8(16(18)19)7-10(9)21-12(11)13(17)15-3-5-20-6-4-15/h1-2,7H,3-6H2

InChI Key

FIOWPYNKYKJRQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00415112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.76

Polar Surface Area

58.924

Acid Dissociation Constant (pKa)

29.02

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8006-2874 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-2874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2874?
Check Price and Availability of 8006-2874, 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 8006-2874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2874
  • 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 8006-2874 available by request