G357-3991 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(furan-2-amido)benzoate

G357-3991 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(furan-2-amido)benzoate
G357-3991 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(furan-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-3991
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(furan-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

G357-3991

Molecular Formula

C22H20N4O6S (C22 H20 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCC(SC1=NC(COC(c(cc2)ccc2NC(c2ccco2)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C22H20N4O6S/c1-2-30-11-9-18-25-26-19(27)12-16(24-22(26)33-18)13-32-21(29)14-5-7-15(8-6-14)23-20(28)17-4-3-10-31-17/h3-8,10,12H,2,9,11,13H2,1H3,(H,23,28)

InChI Key

FDISHVXIWOROLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.905

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.52

Polar Surface Area

98.950

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G357-3991 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G357-3991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-3991?
Check Price and Availability of G357-3991, 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 G357-3991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-3991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-3991
  • 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 G357-3991 available by request