4819-0505 Screening compound: 7-(tert-butyl)-2-(methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4819-0505 Screening compound: 7-(tert-butyl)-2-(methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4819-0505 Screening compound: 7-(tert-butyl)-2-(methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4819-0505
7-(tert-butyl)-2-(methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

4819-0505

Molecular Formula

C21H24N2OS2 (C21 H24 N2 OS2)

Compound Name

7-(tert-butyl)-2-(methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-tert-butyl-5-(methylsulfanyl)-4-phenyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(c1ccccc1)C(SC)=N1)=O)c1s2

InChI

InChI=1S/C21H24N2OS2/c1-21(2,3)13-10-11-15-16(12-13)26-18-17(15)19(24)23(20(22-18)25-4)14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-/m1/s1

InChI Key

DTJDOZYHVJWHNN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01907374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.51

Polar Surface Area

25.254

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4819-0505 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4819-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4819-0505?
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What is the minimum amount of 4819-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4819-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4819-0505
  • 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 4819-0505 available by request