G595-0612 Screening compound: N~3~-[4-(methylsulfanyl)benzyl]-4-oxo-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

G595-0612 Screening compound: N~3~-[4-(methylsulfanyl)benzyl]-4-oxo-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
G595-0612 Screening compound: N~3~-[4-(methylsulfanyl)benzyl]-4-oxo-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G595-0612
N~3~-[4-(methylsulfanyl)benzyl]-4-oxo-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

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

G595-0612

Molecular Formula

C18H17N3O2S2 (C18 H17 N3 O2 S2)

Compound Name

N~3~-[4-(methylsulfanyl)benzyl]-4-oxo-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

IUPAC name

N-{[4-(methylsulfanyl)phenyl]methyl}-12-oxo-7-thia-19-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)810-triene-11-carboxamide

SMILES

CSc1ccc(CNC(C2=CN=C3SC(CCC4)=C4N3C2=O)=O)cc1

InChI

InChI=1S/C18H17N3O2S2/c1-24-12-7-5-11(6-8-12)9-19-16(22)13-10-20-18-21(17(13)23)14-3-2-4-15(14)25-18/h5-8,10H,2-4,9H2,1H3,(H,19,22)

InChI Key

OZNCZIUOTHUBKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-2.68

Polar Surface Area

50.403

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G595-0612 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G595-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G595-0612?
Check Price and Availability of G595-0612, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G595-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G595-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G595-0612
  • 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 G595-0612 available by request