6565-0053 Screening compound: 7-cyclopropyl-2-[4-(methylsulfanyl)phenyl]-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

6565-0053 Screening compound: 7-cyclopropyl-2-[4-(methylsulfanyl)phenyl]-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
6565-0053 Screening compound: 7-cyclopropyl-2-[4-(methylsulfanyl)phenyl]-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6565-0053
7-cyclopropyl-2-[4-(methylsulfanyl)phenyl]-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-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

6565-0053

Molecular Formula

C25H21N3OS2 (C25 H21 N3 OS2)

Compound Name

7-cyclopropyl-2-[4-(methylsulfanyl)phenyl]-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

11-cyclopropyl-4-[4-(methylsulfanyl)phenyl]-13-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

CSc1ccc(C(Nc2c3sc4nc(C5CC5)cc(-c5ccccc5)c24)NC3=O)cc1

InChI

InChI=1S/C25H21N3OS2/c1-30-17-11-9-16(10-12-17)23-27-21-20-18(14-5-3-2-4-6-14)13-19(15-7-8-15)26-25(20)31-22(21)24(29)28-23/h2-6,9-13,15,23,27H,7-8H2,1H3,(H,28,29)/t23-/m1/s1

InChI Key

XTFDBMYVRUQQNX-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03129852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.112

Distribution Coefficient, logD

5.903

Water Solubility, LogSw

-5.85

Polar Surface Area

43.825

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6565-0053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6565-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6565-0053?
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What is the minimum amount of 6565-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6565-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6565-0053
  • 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 6565-0053 available by request