E002-0845 Screening compound: 1-(5-methyl-1H-indazol-1-yl)-4-(4-methylpiperazino)-1,4-butanedione

E002-0845 Screening compound: 1-(5-methyl-1H-indazol-1-yl)-4-(4-methylpiperazino)-1,4-butanedione
E002-0845 Screening compound: 1-(5-methyl-1H-indazol-1-yl)-4-(4-methylpiperazino)-1,4-butanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0845
1-(5-methyl-1H-indazol-1-yl)-4-(4-methylpiperazino)-1,4-butanedione

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

E002-0845

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

1-(5-methyl-1H-indazol-1-yl)-4-(4-methylpiperazino)-1,4-butanedione

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1n(C(CCC(N1CCN(C)CC1)=O)=O)nc2

InChI

InChI=1S/C17H22N4O2/c1-13-3-4-15-14(11-13)12-18-21(15)17(23)6-5-16(22)20-9-7-19(2)8-10-20/h3-4,11-12H,5-10H2,1-2H3

InChI Key

DXJIAWWHKGEKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.939

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-1.65

Polar Surface Area

46.344

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

E002-0845 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0845?
Check Price and Availability of E002-0845, 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 E002-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0845
  • 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 E002-0845 available by request