3403-4649 Screening compound: N3,N5-bis(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide

3403-4649 Screening compound: N3,N5-bis(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide
3403-4649 Screening compound: N3,N5-bis(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3403-4649
N3,N5-bis(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide

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

3403-4649

Molecular Formula

C20H19N5O6 (C20 H19 N5 O6)

Compound Name

N3,N5-bis(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide

IUPAC name

N3N5-bis(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-35-dicarboxamide

SMILES

Cn1nc(C(Nc(cc2)ccc2OC)=O)c([N+]([O-])=O)c1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H19N5O6/c1-24-18(20(27)22-13-6-10-15(31-3)11-7-13)17(25(28)29)16(23-24)19(26)21-12-4-8-14(30-2)9-5-12/h4-11H,1-3H3,(H,21,26)(H,22,27)

InChI Key

RZRMXLQBLQEQNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01892242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.779

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-3.50

Polar Surface Area

108.350

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3403-4649 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3403-4649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3403-4649?
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What is the minimum amount of 3403-4649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3403-4649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3403-4649
  • 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 3403-4649 available by request