G357-0052 Screening compound: {2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-tert-butylbenzamido)benzoate

G357-0052 Screening compound: {2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-tert-butylbenzamido)benzoate
G357-0052 Screening compound: {2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-tert-butylbenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-0052
{2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-tert-butylbenzamido)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

G357-0052

Molecular Formula

C25H24N4O4S (C25 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1C(OCC(N=C1SC(C)=NN11)=CC1=O)=O)=O

InChI

InChI=1S/C25H24N4O4S/c1-15-28-29-21(30)13-20(27-24(29)34-15)14-33-23(32)17-7-11-19(12-8-17)26-22(31)16-5-9-18(10-6-16)25(2,3)4/h5-13H,14H2,1-4H3,(H,26,31)

InChI Key

PGNBJVSFGBPXFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15001722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.05

Polar Surface Area

81.664

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G357-0052 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G357-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-0052?
Check Price and Availability of G357-0052, 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 G357-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-0052
  • 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 G357-0052 available by request