1685-0029 Screening compound: 4-{[(2-methoxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1685-0029 Screening compound: 4-{[(2-methoxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1685-0029 Screening compound: 4-{[(2-methoxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1685-0029
4-{[(2-methoxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

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

1685-0029

Molecular Formula

C19H18N4O4 (C19 H18 N4 O4)

Compound Name

4-{[(2-methoxy-5-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-{[(2-methoxy-5-nitrophenyl)methylidene]amino}-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1N=Cc(cc(cc1)[N+]([O-])=O)c1OC

InChI

InChI=1S/C19H18N4O4/c1-13-18(19(24)22(21(13)2)15-7-5-4-6-8-15)20-12-14-11-16(23(25)26)9-10-17(14)27-3/h4-12H,1-3H3

InChI Key

WKAYHDSWJLYQHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.04

Polar Surface Area

69.759

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1685-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1685-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1685-0029?
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What is the minimum amount of 1685-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1685-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1685-0029
  • 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 1685-0029 available by request