G357-1174 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-propanamidobenzoate

G357-1174 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-propanamidobenzoate
G357-1174 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-propanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-1174
{2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-propanamidobenzoate

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

G357-1174

Molecular Formula

C20H22N4O4S (C20 H22 N4 O4 S)

Compound Name

{2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-propanamidobenzoate

IUPAC name

{2-butyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl 2-propanamidobenzoate

SMILES

CCCCC(SC1=NC(COC(c(cccc2)c2NC(CC)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C20H22N4O4S/c1-3-5-10-17-23-24-18(26)11-13(21-20(24)29-17)12-28-19(27)14-8-6-7-9-15(14)22-16(25)4-2/h6-9,11H,3-5,10,12H2,1-2H3,(H,22,25)

InChI Key

ADHIHXATMYSNDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.68

Polar Surface Area

81.755

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G357-1174 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G357-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-1174?
Check Price and Availability of G357-1174, 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 G357-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-1174
  • 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 G357-1174 available by request