4408-0628 Screening compound: 1-(4-methylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone

4408-0628 Screening compound: 1-(4-methylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone
4408-0628 Screening compound: 1-(4-methylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0628
1-(4-methylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone

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

4408-0628

Molecular Formula

C19H18N2OS2 (C19 H18 N2 OS2)

Compound Name

1-(4-methylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-ethanone

IUPAC name

1-(4-methylphenyl)-2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}ethan-1-one

SMILES

Cc(cc1)ccc1C(CSc1c(c(CCCC2)c2s2)c2ncn1)=O

InChI

InChI=1S/C19H18N2OS2/c1-12-6-8-13(9-7-12)15(22)10-23-18-17-14-4-2-3-5-16(14)24-19(17)21-11-20-18/h6-9,11H,2-5,10H2,1H3

InChI Key

CNQIDDIVVVOOHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02732540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-4.85

Polar Surface Area

34.180

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4408-0628 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4408-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0628?
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What is the minimum amount of 4408-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0628
  • 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 4408-0628 available by request