C679-3487 Screening compound: 2-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

C679-3487 Screening compound: 2-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
C679-3487 Screening compound: 2-{[(5-amino-1,3,4-thiadiazol-2-yl)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 C679-3487
2-{[(5-amino-1,3,4-thiadiazol-2-yl)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

C679-3487

Molecular Formula

C13H13N5OS3 (C13 H13 N5 OS3)

Compound Name

2-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

IUPAC name

11-{[(5-amino-134-thiadiazol-2-yl)sulfanyl]methyl}-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-13-one

SMILES

Nc1nnc(SCC(N=C2SC(CCCC3)=C3N22)=CC2=O)s1

InChI

InChI=1S/C13H13N5OS3/c14-11-16-17-13(22-11)20-6-7-5-10(19)18-8-3-1-2-4-9(8)21-12(18)15-7/h5H,1-4,6H2,(H2,14,16)

InChI Key

VIGMYHYKGKQYCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10186850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-1.73

Polar Surface Area

69.766

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C679-3487 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C679-3487 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C679-3487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3487
  • 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 C679-3487 available by request