C679-3259 Screening compound: 2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

C679-3259 Screening compound: 2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
C679-3259 Screening compound: 2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-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 C679-3259
2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-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

C679-3259

Molecular Formula

C19H15ClN4O2S2 (C19 H15 ClN4 O2 S2)

Compound Name

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

IUPAC name

11-({[5-(4-chlorophenyl)-134-oxadiazol-2-yl]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(CSc2nnc(-c(cc3)ccc3Cl)o2)=C1

InChI

InChI=1S/C19H15ClN4O2S2/c20-12-7-5-11(6-8-12)17-22-23-19(26-17)27-10-13-9-16(25)24-14-3-1-2-4-15(14)28-18(24)21-13/h5-9H,1-4,10H2

InChI Key

PHRTUGSJVNYDRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.22

Polar Surface Area

56.201

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C679-3259 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C679-3259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-3259?
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What is the minimum amount of C679-3259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-3259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-3259
  • 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 C679-3259 available by request