5493-0014 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-propanamidobenzoate

5493-0014 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-propanamidobenzoate
5493-0014 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-propanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5493-0014
[(4-sulfamoylphenyl)carbamoyl]methyl 2-propanamidobenzoate

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

5493-0014

Molecular Formula

C18H19N3O6S (C18 H19 N3 O6 S)

Compound Name

[(4-sulfamoylphenyl)carbamoyl]methyl 2-propanamidobenzoate

IUPAC name

[(4-sulfamoylphenyl)carbamoyl]methyl 2-propanamidobenzoate

SMILES

CCC(Nc(cccc1)c1C(OCC(Nc(cc1)ccc1S(N)(=O)=O)=O)=O)=O

InChI

InChI=1S/C18H19N3O6S/c1-2-16(22)21-15-6-4-3-5-14(15)18(24)27-11-17(23)20-12-7-9-13(10-8-12)28(19,25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22)(H2,19,25,26)

InChI Key

XPGPVDSASUNADX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.052

Distribution Coefficient, logD

1.043

Water Solubility, LogSw

-2.24

Polar Surface Area

117.300

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5493-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5493-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5493-0014?
Check Price and Availability of 5493-0014, 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 5493-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5493-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5493-0014
  • 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 5493-0014 available by request