E002-0846 Screening compound: 1-(5-methyl-1H-indazol-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione

E002-0846 Screening compound: 1-(5-methyl-1H-indazol-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
E002-0846 Screening compound: 1-(5-methyl-1H-indazol-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0846
1-(5-methyl-1H-indazol-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione

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

E002-0846

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

1-(5-methyl-1H-indazol-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione

IUPAC name

1-(5-methyl-1H-indazol-1-yl)-4-(4-phenylpiperazin-1-yl)butane-14-dione

SMILES

Cc(cc1)cc2c1n(C(CCC(N(CC1)CCN1c1ccccc1)=O)=O)nc2

InChI

InChI=1S/C22H24N4O2/c1-17-7-8-20-18(15-17)16-23-26(20)22(28)10-9-21(27)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-8,15-16H,9-14H2,1H3

InChI Key

LHRRVAHFOYBSPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-2.99

Polar Surface Area

46.128

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E002-0846 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E002-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0846?
Check Price and Availability of E002-0846, 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 E002-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0846
  • 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 E002-0846 available by request