5617-0547 Screening compound: N'2,N'4-bis[(E)-(4-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide

5617-0547 Screening compound: N'2,N'4-bis[(E)-(4-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide
5617-0547 Screening compound: N'2,N'4-bis[(E)-(4-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5617-0547
N'2,N'4-bis[(E)-(4-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide

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

5617-0547

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

N'2,N'4-bis[(E)-(4-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide

IUPAC name

N'2N'4-bis[(E)-(4-methoxyphenyl)methylidene]-35-dimethyl-1H-pyrrole-24-dicarbohydrazide

SMILES

Cc1c(C(N/N=C/c(cc2)ccc2OC)=O)[nH]c(C)c1C(N/N=C/c(cc1)ccc1OC)=O

InChI

InChI=1S/C24H25N5O4/c1-15-21(23(30)28-25-13-17-5-9-19(32-3)10-6-17)16(2)27-22(15)24(31)29-26-14-18-7-11-20(33-4)12-8-18/h5-14,27H,1-4H3,(H,28,30)(H,29,31)

InChI Key

MQDOCSOJQNETSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-4.18

Polar Surface Area

96.939

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5617-0547 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 5617-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 5617-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5617-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5617-0547
  • 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 5617-0547 available by request