5067-0757 Screening compound: 9-[4-(tert-butyl)phenyl]-5-morpholino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one

5067-0757 Screening compound: 9-[4-(tert-butyl)phenyl]-5-morpholino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
5067-0757 Screening compound: 9-[4-(tert-butyl)phenyl]-5-morpholino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5067-0757
9-[4-(tert-butyl)phenyl]-5-morpholino-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

5067-0757

Molecular Formula

C27H26N4O2S (C27 H26 N4 O2 S)

Compound Name

9-[4-(tert-butyl)phenyl]-5-morpholino-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one

IUPAC name

13-(4-tert-butylphenyl)-8-(morpholin-4-yl)-15-thia-91017-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)2(7)35812(16)13-heptaen-11-one

SMILES

CC(C)(C)c(cc1)ccc1-c1csc(N=C(c2c3cccc2)N2N=C3N3CCOCC3)c1C2=O

InChI

InChI=1S/C27H26N4O2S/c1-27(2,3)18-10-8-17(9-11-18)21-16-34-25-22(21)26(32)31-23(28-25)19-6-4-5-7-20(19)24(29-31)30-12-14-33-15-13-30/h4-11,16H,12-15H2,1-3H3

InChI Key

SOFICYNYAKPXDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03028183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.463

Water Solubility, LogSw

-5.49

Polar Surface Area

46.488

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

5067-0757 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5067-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5067-0757?
Check Price and Availability of 5067-0757, 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 5067-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5067-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5067-0757
  • 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 5067-0757 available by request