G357-0428 Screening compound: [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate

G357-0428 Screening compound: [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate
G357-0428 Screening compound: [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-0428
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate

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

G357-0428

Molecular Formula

C20H22N4O4S (C20 H22 N4 O4 S)

Compound Name

[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate

IUPAC name

[5-oxo-2-(propan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate

SMILES

CCCC(Nc(cccc1)c1C(OCC(N=C1SC(C(C)C)=NN11)=CC1=O)=O)=O

InChI

InChI=1S/C20H22N4O4S/c1-4-7-16(25)22-15-9-6-5-8-14(15)19(27)28-11-13-10-17(26)24-20(21-13)29-18(23-24)12(2)3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,22,25)

InChI Key

QDNLYQYYWSOIEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15001877

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.66

Polar Surface Area

81.851

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G357-0428 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 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 G357-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-0428?
Check Price and Availability of G357-0428, 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 G357-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-0428
  • 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 G357-0428 available by request