5493-0007 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-acetamidobenzoate

5493-0007 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-acetamidobenzoate
5493-0007 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-acetamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5493-0007
[(4-sulfamoylphenyl)carbamoyl]methyl 2-acetamidobenzoate

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

5493-0007

Molecular Formula

C17H17N3O6S (C17 H17 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H17N3O6S/c1-11(21)19-15-5-3-2-4-14(15)17(23)26-10-16(22)20-12-6-8-13(9-7-12)27(18,24)25/h2-9H,10H2,1H3,(H,19,21)(H,20,22)(H2,18,24,25)

InChI Key

GJQYOTMDIGJZAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.402

Distribution Coefficient, logD

0.397

Water Solubility, LogSw

-2.03

Polar Surface Area

117.413

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5493-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5493-0007?
Check Price and Availability of 5493-0007, 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 5493-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5493-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5493-0007
  • 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 5493-0007 available by request