8005-4774 Screening compound: N-(1-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)-4-nitrobenzene-1-sulfonamide

8005-4774 Screening compound: N-(1-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)-4-nitrobenzene-1-sulfonamide
8005-4774 Screening compound: N-(1-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)-4-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4774
N-(1-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)-4-nitrobenzene-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

8005-4774

Molecular Formula

C17H18N4O7S (C17 H18 N4 O7 S)

Compound Name

N-(1-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)-4-nitrobenzene-1-sulfonamide

IUPAC name

N-(1-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)-4-nitrobenzene-1-sulfonamide

SMILES

CC(C(N/N=C/c(cc1)cc(OC)c1O)=O)NS(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C17H18N4O7S/c1-11(20-29(26,27)14-6-4-13(5-7-14)21(24)25)17(23)19-18-10-12-3-8-15(22)16(9-12)28-2/h3-11,20,22H,1-2H3,(H,19,23)/t11-/m0/s1

InChI Key

XIHVITRLBRMLFK-NSHDSACASA-N

MDL Number (MFCD)

MFCD00819937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.899

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.74

Polar Surface Area

134.521

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8005-4774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4774?
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What is the minimum amount of 8005-4774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4774
  • 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 8005-4774 available by request