6049-0039 Screening compound: (1E)-1-[(2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-ylidene]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

6049-0039 Screening compound: (1E)-1-[(2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-ylidene]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
6049-0039 Screening compound: (1E)-1-[(2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-ylidene]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0039
(1E)-1-[(2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-ylidene]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

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

6049-0039

Molecular Formula

C24H30N4O (C24 H30 N4 O)

Compound Name

(1E)-1-[(2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-ylidene]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

IUPAC name

(1E)-1-[(2E)-2-[(15-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-ylidene]-11a-methyl-1H2H3H3aH3bH4H5H9bH10H11H11aH-cyclopenta[a]phenanthren-7-ol

SMILES

CC(CC1)(C(CC2)C(CC3)C1c(cc1)c3cc1O)/C2=N/N=C/c1c(C)n(C)nc1

InChI

InChI=1S/C24H30N4O/c1-15-17(14-26-28(15)3)13-25-27-23-9-8-22-21-6-4-16-12-18(29)5-7-19(16)20(21)10-11-24(22,23)2/h5,7,12-14,20-22,29H,4,6,8-11H2,1-3H3/b25-13?,27-23+

InChI Key

YXWCFPYLJKIHKI-BCVQWONFSA-N

MDL Number (MFCD)

MFCD03073992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.47

Polar Surface Area

51.206

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

54.20

6049-0039 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6049-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0039?
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What is the minimum amount of 6049-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0039
  • 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 6049-0039 available by request