3508-1338A Screening compound: 3-(4-benzhydrylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

3508-1338A Screening compound: 3-(4-benzhydrylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine
3508-1338A Screening compound: 3-(4-benzhydrylpiperazino)-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3508-1338A
3-(4-benzhydrylpiperazino)-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

3508-1338A

Molecular Formula

C28H27N5O (C28 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CN1c2cc(N(CC3)CCN3C(c3ccccc3)c3ccccc3)nnc2Oc2c1cccc2

InChI

InChI=1S/C28H27N5O/c1-31-23-14-8-9-15-25(23)34-28-24(31)20-26(29-30-28)32-16-18-33(19-17-32)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,20,27H,16-19H2,1H3

InChI Key

USLKWVMUQQPKEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-5.46

Polar Surface Area

36.627

Acid Dissociation Constant (pKa)

24.26

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3508-1338A in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3508-1338A chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3508-1338A?
Check Price and Availability of 3508-1338A, 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 3508-1338A you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3508-1338A
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3508-1338A
  • 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 3508-1338A available by request