1227-0092 Screening compound: 4-methyl-3-(morpholine-4-sulfonyl)benzoic acid

1227-0092 Screening compound: 4-methyl-3-(morpholine-4-sulfonyl)benzoic acid
1227-0092 Screening compound: 4-methyl-3-(morpholine-4-sulfonyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1227-0092
4-methyl-3-(morpholine-4-sulfonyl)benzoic acid

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

1227-0092

Molecular Formula

C12H15NO5S (C12 H15 NO5 S)

Compound Name

4-methyl-3-(morpholine-4-sulfonyl)benzoic acid

IUPAC name

4-methyl-3-(morpholine-4-sulfonyl)benzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C12H15NO5S/c1-9-2-3-10(12(14)15)8-11(9)19(16,17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)

InChI Key

XWGOGAHEPWTCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00492976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

-2.645

Water Solubility, LogSw

-2.21

Polar Surface Area

68.266

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1227-0092 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1227-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1227-0092?
Check Price and Availability of 1227-0092, 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 1227-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1227-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1227-0092
  • 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 1227-0092 available by request