3272-0163 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-nitro-N-phenylbenzene-1-sulfonamide

3272-0163 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-nitro-N-phenylbenzene-1-sulfonamide
3272-0163 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-nitro-N-phenylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-0163
N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-nitro-N-phenylbenzene-1-sulfonamide

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

3272-0163

Molecular Formula

C22H18N4O7S (C22 H18 N4 O7 S)

Compound Name

N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-nitro-N-phenylbenzene-1-sulfonamide

IUPAC name

N-({N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-nitro-N-phenylbenzene-1-sulfonamide

SMILES

[O-][N+](c(cccc1)c1S(N(CC(N/N=C/c(cc1)cc2c1OCO2)=O)c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C22H18N4O7S/c27-22(24-23-13-16-10-11-19-20(12-16)33-15-32-19)14-25(17-6-2-1-3-7-17)34(30,31)21-9-5-4-8-18(21)26(28)29/h1-13H,14-15H2,(H,24,27)

InChI Key

XQLQGIJCQFYXNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01190264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.62

Polar Surface Area

117.362

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 3272-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-0163
  • 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 3272-0163 available by request