D344-9327 Screening compound: 2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

D344-9327 Screening compound: 2-({[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
D344-9327 Screening compound: 2-({[5-(2-thienyl)-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 D344-9327
2-({[5-(2-thienyl)-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

D344-9327

Molecular Formula

C17H14N4O2S3 (C17 H14 N4 O2 S3)

Compound Name

2-({[5-(2-thienyl)-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-(thiophen-2-yl)-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(-c3cccs3)o2)=C1

InChI

InChI=1S/C17H14N4O2S3/c22-14-8-10(18-16-21(14)11-4-1-2-5-12(11)26-16)9-25-17-20-19-15(23-17)13-6-3-7-24-13/h3,6-8H,1-2,4-5,9H2

InChI Key

TWLBLZMZKGMAQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

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

2.787

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.04

Polar Surface Area

57.219

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D344-9327 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D344-9327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-9327?
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What is the minimum amount of D344-9327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-9327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-9327
  • 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 D344-9327 available by request