6290-0012 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-(4-methylphenyl)quinoline-4-carboxylate

6290-0012 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-(4-methylphenyl)quinoline-4-carboxylate
6290-0012 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-(4-methylphenyl)quinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6290-0012
[(4-sulfamoylphenyl)carbamoyl]methyl 2-(4-methylphenyl)quinoline-4-carboxylate

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

6290-0012

Molecular Formula

C25H21N3O5S (C25 H21 N3 O5 S)

Compound Name

[(4-sulfamoylphenyl)carbamoyl]methyl 2-(4-methylphenyl)quinoline-4-carboxylate

IUPAC name

[(4-sulfamoylphenyl)carbamoyl]methyl 2-(4-methylphenyl)quinoline-4-carboxylate

SMILES

Cc(cc1)ccc1-c1nc2ccccc2c(C(OCC(Nc(cc2)ccc2S(N)(=O)=O)=O)=O)c1

InChI

InChI=1S/C25H21N3O5S/c1-16-6-8-17(9-7-16)23-14-21(20-4-2-3-5-22(20)28-23)25(30)33-15-24(29)27-18-10-12-19(13-11-18)34(26,31)32/h2-14H,15H2,1H3,(H,27,29)(H2,26,31,32)

InChI Key

ATQNDSGESUVSCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04128723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.37

Polar Surface Area

102.908

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

6290-0012 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6290-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6290-0012?
Check Price and Availability of 6290-0012, 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 6290-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6290-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6290-0012
  • 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 6290-0012 available by request