6049-0028 Screening compound: (1E)-1-[(2E)-2-[(1-ETHYL-5-METHYL-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

6049-0028 Screening compound: (1E)-1-[(2E)-2-[(1-ETHYL-5-METHYL-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
6049-0028 Screening compound: (1E)-1-[(2E)-2-[(1-ETHYL-5-METHYL-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 6049-0028
(1E)-1-[(2E)-2-[(1-ETHYL-5-METHYL-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

6049-0028

Molecular Formula

C25H32N4O (C25 H32 N4 O)

Compound Name

(1E)-1-[(2E)-2-[(1-ETHYL-5-METHYL-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

n/a

SMILES

CCn1ncc(/C=N/N=C(\CC2)/C(C)(CC3)C2C(CC2)C3c(cc3)c2cc3O)c1C

InChI

InChI=1S/C25H32N4O/c1-4-29-16(2)18(15-27-29)14-26-28-24-10-9-23-22-7-5-17-13-19(30)6-8-20(17)21(22)11-12-25(23,24)3/h6,8,13-15,21-23,30H,4-5,7,9-12H2,1-3H3/b26-14?,28-24+

InChI Key

HYWJWQQIDDGRNG-JCFDTNJNSA-N

MDL Number (MFCD)

MFCD03073982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.73

Polar Surface Area

50.645

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

15.00

6049-0028 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6049-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0028?
Check Price and Availability of 6049-0028, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6049-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0028
  • 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 6049-0028 available by request