3393-0173 Screening compound: N-[4-({4-[(1E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]benzamide

3393-0173 Screening compound: N-[4-({4-[(1E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]benzamide
3393-0173 Screening compound: N-[4-({4-[(1E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3393-0173
N-[4-({4-[(1E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]benzamide

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

3393-0173

Molecular Formula

C25H19N5O5S (C25 H19 N5 O5 S)

Compound Name

N-[4-({4-[(1E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]benzamide

IUPAC name

N-[4-({4-[(1E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]benzamide

SMILES

[O-][N+](c1cccc(/C=C/c2ccnc(NS(c(cc3)ccc3NC(c3ccccc3)=O)(=O)=O)n2)c1)=O

InChI

InChI=1S/C25H19N5O5S/c31-24(19-6-2-1-3-7-19)27-20-11-13-23(14-12-20)36(34,35)29-25-26-16-15-21(28-25)10-9-18-5-4-8-22(17-18)30(32)33/h1-17H,(H,27,31)(H,26,28,29)

InChI Key

BTMMQLSAGODYAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-4.53

Polar Surface Area

117.722

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3393-0173 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3393-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0173?
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What is the minimum amount of 3393-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0173
  • 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 3393-0173 available by request