C679-2572 Screening compound: 3-methyl-2-({[2-(methylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

C679-2572 Screening compound: 3-methyl-2-({[2-(methylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
C679-2572 Screening compound: 3-methyl-2-({[2-(methylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2572
3-methyl-2-({[2-(methylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

C679-2572

Molecular Formula

C18H17N5O2S4 (C18 H17 N5 O2 S4)

Compound Name

3-methyl-2-({[2-(methylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-methyl-5-({[2-(methylsulfanyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl}sulfanyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CN1C(SCC(N=C2SC(SC)=NN22)=CC2=O)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C18H17N5O2S4/c1-22-15(25)13-10-5-3-4-6-11(10)28-14(13)20-16(22)27-8-9-7-12(24)23-17(19-9)29-18(21-23)26-2/h7H,3-6,8H2,1-2H3

InChI Key

MLHOULLRTRYYBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.18

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C679-2572 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with C679-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2572?
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What is the minimum amount of C679-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2572
  • 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 C679-2572 available by request