5055-6926 Screening compound: 9,10-dimethyl-5-piperidino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one

5055-6926 Screening compound: 9,10-dimethyl-5-piperidino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
5055-6926 Screening compound: 9,10-dimethyl-5-piperidino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-6926
9,10-dimethyl-5-piperidino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one

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

5055-6926

Molecular Formula

C20H20N4OS (C20 H20 N4 OS)

Compound Name

9,10-dimethyl-5-piperidino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one

IUPAC name

1314-dimethyl-8-(piperidin-1-yl)-15-thia-91017-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)2(7)35812(16)13-heptaen-11-one

SMILES

Cc1c(C)sc(N=C(c2c3cccc2)N2N=C3N3CCCCC3)c1C2=O

InChI

InChI=1S/C20H20N4OS/c1-12-13(2)26-19-16(12)20(25)24-17(21-19)14-8-4-5-9-15(14)18(22-24)23-10-6-3-7-11-23/h4-5,8-9H,3,6-7,10-11H2,1-2H3

InChI Key

QNNQJKHLYLQYBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.07

Polar Surface Area

38.851

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5055-6926 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5055-6926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-6926?
Check Price and Availability of 5055-6926, 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 5055-6926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-6926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-6926
  • 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 5055-6926 available by request