G808-0065 Screening compound: 2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

G808-0065 Screening compound: 2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
G808-0065 Screening compound: 2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-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 G808-0065
2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-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

G808-0065

Molecular Formula

C18H18N6OS2 (C18 H18 N6 OS2)

Compound Name

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

IUPAC name

11-[({57-dimethyl-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)methyl]-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-13-one

SMILES

Cc(n12)cc(C)nc2nnc1SCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C18H18N6OS2/c1-10-7-11(2)23-16(19-10)21-22-18(23)26-9-12-8-15(25)24-13-5-3-4-6-14(13)27-17(24)20-12/h7-8H,3-6,9H2,1-2H3

InChI Key

SSDNXLUBXBZCIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.836

Water Solubility, LogSw

-2.00

Polar Surface Area

57.790

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G808-0065 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G808-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0065?
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What is the minimum amount of G808-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0065
  • 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 G808-0065 available by request