8004-7877 Screening compound: 4-[3-(4-fluoro-3-nitrobenzenesulfonyl)propyl]morpholine

8004-7877 Screening compound: 4-[3-(4-fluoro-3-nitrobenzenesulfonyl)propyl]morpholine
8004-7877 Screening compound: 4-[3-(4-fluoro-3-nitrobenzenesulfonyl)propyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7877
4-[3-(4-fluoro-3-nitrobenzenesulfonyl)propyl]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

8004-7877

Molecular Formula

C13H17FN2O5S (C13 H17 FN2 O5 S)

Compound Name

4-[3-(4-fluoro-3-nitrobenzenesulfonyl)propyl]morpholine

IUPAC name

4-[3-(4-fluoro-3-nitrobenzenesulfonyl)propyl]morpholine

SMILES

[O-][N+](c(cc(cc1)S(CCCN2CCOCC2)(=O)=O)c1F)=O

InChI

InChI=1S/C13H17FN2O5S/c14-12-3-2-11(10-13(12)16(17)18)22(19,20)9-1-4-15-5-7-21-8-6-15/h2-3,10H,1,4-9H2

InChI Key

IEHAEFFWCRXYSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740333

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

332.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.144

Distribution Coefficient, logD

1.105

Water Solubility, LogSw

-2.41

Polar Surface Area

73.975

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

8004-7877 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8004-7877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7877?
Check Price and Availability of 8004-7877, 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 8004-7877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7877
  • 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 8004-7877 available by request