0535-0701 Screening compound: 3-(4-ethylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

0535-0701 Screening compound: 3-(4-ethylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine
0535-0701 Screening compound: 3-(4-ethylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0535-0701
3-(4-ethylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

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

0535-0701

Molecular Formula

C17H21N5O (C17 H21 N5 O)

Compound Name

3-(4-ethylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

IUPAC name

6-(4-ethylpiperazin-1-yl)-9-methyl-2-oxa-459-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaene

SMILES

CCN(CC1)CCN1c1nnc2Oc(cccc3)c3N(C)c2c1

InChI

InChI=1S/C17H21N5O/c1-3-21-8-10-22(11-9-21)16-12-14-17(19-18-16)23-15-7-5-4-6-13(15)20(14)2/h4-7,12H,3,8-11H2,1-2H3

InChI Key

WCZLZKLICVOKBC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

0.474

Water Solubility, LogSw

-2.55

Polar Surface Area

37.602

Acid Dissociation Constant (pKa)

24.56

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 0535-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0535-0701?
Check Price and Availability of 0535-0701, 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 0535-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0535-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0535-0701
  • 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 0535-0701 available by request