C679-3482 Screening compound: 2-{[(2-furylmethyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

C679-3482 Screening compound: 2-{[(2-furylmethyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
C679-3482 Screening compound: 2-{[(2-furylmethyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-3482
2-{[(2-furylmethyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-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

C679-3482

Molecular Formula

C16H16N2O2S2 (C16 H16 N2 O2 S2)

Compound Name

2-{[(2-furylmethyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

IUPAC name

11-({[(furan-2-yl)methyl]sulfanyl}methyl)-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-13-one

SMILES

O=C1N(C(CCCC2)=C2S2)C2=NC(CSCc2ccco2)=C1

InChI

InChI=1S/C16H16N2O2S2/c19-15-8-11(9-21-10-12-4-3-7-20-12)17-16-18(15)13-5-1-2-6-14(13)22-16/h3-4,7-8H,1-2,5-6,9-10H2

InChI Key

DBVMWCBSRRVVHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.30

Polar Surface Area

33.852

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C679-3482 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Purinergic Library (3321 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C679-3482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3482?
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What is the minimum amount of C679-3482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3482
  • 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 C679-3482 available by request