G357-0006 Screening compound: {2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(thiophene-2-amido)benzoate

G357-0006 Screening compound: {2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(thiophene-2-amido)benzoate
G357-0006 Screening compound: {2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(thiophene-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-0006
{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(thiophene-2-amido)benzoate

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

G357-0006

Molecular Formula

C19H14N4O4S2 (C19 H14 N4 O4 S2)

Compound Name

{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(thiophene-2-amido)benzoate

IUPAC name

{2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl 4-(thiophene-2-amido)benzoate

SMILES

CC(SC1=NC(COC(c(cc2)ccc2NC(c2cccs2)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C19H14N4O4S2/c1-11-22-23-16(24)9-14(21-19(23)29-11)10-27-18(26)12-4-6-13(7-5-12)20-17(25)15-3-2-8-28-15/h2-9H,10H2,1H3,(H,20,25)

InChI Key

LTLCSKFXSYGYGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15001693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.53

Polar Surface Area

82.683

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G357-0006 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G357-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-0006?
Check Price and Availability of G357-0006, 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 G357-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-0006
  • 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 G357-0006 available by request