4386-4690 Screening compound: 7-(tert-butyl)-2-(isopropylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

4386-4690 Screening compound: 7-(tert-butyl)-2-(isopropylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4386-4690 Screening compound: 7-(tert-butyl)-2-(isopropylsulfanyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4690
7-(tert-butyl)-2-(isopropylsulfanyl)-3-(2-methylphenyl)-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

4386-4690

Molecular Formula

C24H30N2OS2 (C24 H30 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)SC(N1c2c(C)cccc2)=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O

InChI

InChI=1S/C24H30N2OS2/c1-14(2)28-23-25-21-20(22(27)26(23)18-10-8-7-9-15(18)3)17-12-11-16(24(4,5)6)13-19(17)29-21/h7-10,14,16H,11-13H2,1-6H3/t16-/m1/s1

InChI Key

DYQPOYYKSDGXFL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02631183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.985

Distribution Coefficient, logD

6.985

Water Solubility, LogSw

-5.73

Polar Surface Area

24.953

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4386-4690 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4386-4690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4690?
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What is the minimum amount of 4386-4690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4690
  • 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 4386-4690 available by request