C679-2702 Screening compound: 3-methyl-2-({[5-oxo-2-(2-thienyl)-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

C679-2702 Screening compound: 3-methyl-2-({[5-oxo-2-(2-thienyl)-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
C679-2702 Screening compound: 3-methyl-2-({[5-oxo-2-(2-thienyl)-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 C679-2702
3-methyl-2-({[5-oxo-2-(2-thienyl)-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

C679-2702

Molecular Formula

C21H17N5O2S4 (C21 H17 N5 O2 S4)

Compound Name

3-methyl-2-({[5-oxo-2-(2-thienyl)-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-({[5-oxo-2-(thiophen-2-yl)-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(c3cccs3)=NN22)=CC2=O)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C21H17N5O2S4/c1-25-19(28)16-12-5-2-3-6-13(12)31-18(16)23-20(25)30-10-11-9-15(27)26-21(22-11)32-17(24-26)14-7-4-8-29-14/h4,7-9H,2-3,5-6,10H2,1H3

InChI Key

ZZCDFDRKXKASPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.29

Polar Surface Area

64.682

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C679-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2702?
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What is the minimum amount of C679-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2702
  • 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 C679-2702 available by request