3272-0892 Screening compound: 4-[(E)-({[4-(N-methylbenzenesulfonamido)phenyl]formamido}imino)methyl]phenyl acetate

3272-0892 Screening compound: 4-[(E)-({[4-(N-methylbenzenesulfonamido)phenyl]formamido}imino)methyl]phenyl acetate
3272-0892 Screening compound: 4-[(E)-({[4-(N-methylbenzenesulfonamido)phenyl]formamido}imino)methyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-0892
4-[(E)-({[4-(N-methylbenzenesulfonamido)phenyl]formamido}imino)methyl]phenyl acetate

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

3272-0892

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

4-[(E)-({[4-(N-methylbenzenesulfonamido)phenyl]formamido}imino)methyl]phenyl acetate

IUPAC name

4-[(E)-({[4-(N-methylbenzenesulfonamido)phenyl]formamido}imino)methyl]phenyl acetate

SMILES

CC(Oc1ccc(/C=N/NC(c(cc2)ccc2N(C)S(c2ccccc2)(=O)=O)=O)cc1)=O

InChI

InChI=1S/C23H21N3O5S/c1-17(27)31-21-14-8-18(9-15-21)16-24-25-23(28)19-10-12-20(13-11-19)26(2)32(29,30)22-6-4-3-5-7-22/h3-16H,1-2H3,(H,25,28)

InChI Key

PJIUGNMBRWFSPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.265

Water Solubility, LogSw

-3.78

Polar Surface Area

89.126

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3272-0892 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 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 3272-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-0892?
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What is the minimum amount of 3272-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-0892
  • 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 3272-0892 available by request