5617-0994 Screening compound: N'2,N'4-bis[(E)-(3-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide

5617-0994 Screening compound: N'2,N'4-bis[(E)-(3-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide
5617-0994 Screening compound: N'2,N'4-bis[(E)-(3-methoxyphenyl)methylidene]-3,5-dimethyl-1H-pyrrole-2,4-dicarbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5617-0994
N'2,N'4-bis[(E)-(3-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

5617-0994

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

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

IUPAC name

N'2N'4-bis[(E)-(3-methoxyphenyl)methylidene]-35-dimethyl-1H-pyrrole-24-dicarbohydrazide

SMILES

Cc1c(C(N/N=C/c2cc(OC)ccc2)=O)[nH]c(C)c1C(N/N=C/c1cc(OC)ccc1)=O

InChI

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

InChI Key

MYJYHWXNINGPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02377858

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

3.926

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.31

Polar Surface Area

96.939

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5617-0994 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

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 5617-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5617-0994?
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What is the minimum amount of 5617-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5617-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5617-0994
  • 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 5617-0994 available by request