D345-0431 Screening compound: N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-3-methoxybenzamide

D345-0431 Screening compound: N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-3-methoxybenzamide
D345-0431 Screening compound: N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0431
N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-3-methoxybenzamide

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

D345-0431

Molecular Formula

C27H24N2O4S (C27 H24 N2 O4 S)

Compound Name

N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-3-methoxybenzamide

IUPAC name

N-{4-[benzyl(phenyl)sulfamoyl]phenyl}-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cc2)ccc2S(N(Cc2ccccc2)c2ccccc2)(=O)=O)=O)c1

InChI

InChI=1S/C27H24N2O4S/c1-33-25-14-8-11-22(19-25)27(30)28-23-15-17-26(18-16-23)34(31,32)29(24-12-6-3-7-13-24)20-21-9-4-2-5-10-21/h2-19H,20H2,1H3,(H,28,30)

InChI Key

RCOQYVFWRQMVSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.13

Polar Surface Area

62.427

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

D345-0431 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D345-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0431?
Check Price and Availability of D345-0431, 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 D345-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0431
  • 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 D345-0431 available by request