G357-4010 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbenzamido)benzoate

G357-4010 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbenzamido)benzoate
G357-4010 Screening compound: [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-4010
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(3-methylbenzamido)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

G357-4010

Molecular Formula

C25H24N4O5S (C25 H24 N4 O5 S)

Compound Name

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

IUPAC name

[2-(2-ethoxyethyl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methyl 4-(3-methylbenzamido)benzoate

SMILES

CCOCCC(SC1=NC(COC(c(cc2)ccc2NC(c2cc(C)ccc2)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C25H24N4O5S/c1-3-33-12-11-21-28-29-22(30)14-20(27-25(29)35-21)15-34-24(32)17-7-9-19(10-8-17)26-23(31)18-6-4-5-16(2)13-18/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,26,31)

InChI Key

MDPWKVRIORNVPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.17

Polar Surface Area

90.372

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G357-4010 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 G357-4010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-4010?
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What is the minimum amount of G357-4010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-4010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-4010
  • 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 G357-4010 available by request