4440-0057 Screening compound: 4-[4-(propan-2-yl)benzenesulfonyl]morpholine

4440-0057 Screening compound: 4-[4-(propan-2-yl)benzenesulfonyl]morpholine
4440-0057 Screening compound: 4-[4-(propan-2-yl)benzenesulfonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4440-0057
4-[4-(propan-2-yl)benzenesulfonyl]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

4440-0057

Molecular Formula

C13H19NO3S (C13 H19 NO3 S)

Compound Name

4-[4-(propan-2-yl)benzenesulfonyl]morpholine

IUPAC name

4-[4-(propan-2-yl)benzenesulfonyl]morpholine

SMILES

CC(C)c(cc1)ccc1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C13H19NO3S/c1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14/h3-6,11H,7-10H2,1-2H3

InChI Key

UUPIRRZKLHFLLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.87

Polar Surface Area

39.858

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

4440-0057 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4440-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4440-0057?
Check Price and Availability of 4440-0057, 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 4440-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4440-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4440-0057
  • 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 4440-0057 available by request