3448-8682 Screening compound: 4-[(4E)-4-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

3448-8682 Screening compound: 4-[(4E)-4-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
3448-8682 Screening compound: 4-[(4E)-4-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8682
4-[(4E)-4-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-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

3448-8682

Molecular Formula

C20H20N4O7S (C20 H20 N4 O7 S)

Compound Name

4-[(4E)-4-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4E)-4-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CCOc(c([N+]([O-])=O)cc(/C=C(\C(C)=NN1c(cc2)ccc2S(N)(=O)=O)/C1=O)c1)c1OC

InChI

InChI=1S/C20H20N4O7S/c1-4-31-19-17(24(26)27)10-13(11-18(19)30-3)9-16-12(2)22-23(20(16)25)14-5-7-15(8-6-14)32(21,28)29/h5-11H,4H2,1-3H3,(H2,21,28,29)

InChI Key

GWQDVYCXOMRCAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.88

Polar Surface Area

124.198

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3448-8682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8682?
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What is the minimum amount of 3448-8682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8682
  • 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 3448-8682 available by request