0917-0044 Screening compound: 3-[4-methyl-3-(morpholine-4-sulfonyl)benzamido]benzoic acid

0917-0044 Screening compound: 3-[4-methyl-3-(morpholine-4-sulfonyl)benzamido]benzoic acid
0917-0044 Screening compound: 3-[4-methyl-3-(morpholine-4-sulfonyl)benzamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0044
3-[4-methyl-3-(morpholine-4-sulfonyl)benzamido]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

0917-0044

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

3-[4-methyl-3-(morpholine-4-sulfonyl)benzamido]benzoic acid

IUPAC name

3-[4-methyl-3-(morpholine-4-sulfonyl)benzamido]benzoic acid

SMILES

Cc(ccc(C(Nc1cc(C(O)=O)ccc1)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C19H20N2O6S/c1-13-5-6-14(12-17(13)28(25,26)21-7-9-27-10-8-21)18(22)20-16-4-2-3-15(11-16)19(23)24/h2-6,11-12H,7-10H2,1H3,(H,20,22)(H,23,24)

InChI Key

XOFOVSJRRQGMAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00492999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

-0.112

Water Solubility, LogSw

-3.13

Polar Surface Area

91.357

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

0917-0044 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0917-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0044?
Check Price and Availability of 0917-0044, 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 0917-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0044
  • 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 0917-0044 available by request