G357-1237 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-(3-phenylpropanamido)benzoate

G357-1237 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-(3-phenylpropanamido)benzoate
G357-1237 Screening compound: {2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-(3-phenylpropanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-1237
{2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 2-(3-phenylpropanamido)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

G357-1237

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

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

IUPAC name

{2-butyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl 2-(3-phenylpropanamido)benzoate

SMILES

CCCCC(SC1=NC(COC(c(cccc2)c2NC(CCc2ccccc2)=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C26H26N4O4S/c1-2-3-13-23-29-30-24(32)16-19(27-26(30)35-23)17-34-25(33)20-11-7-8-12-21(20)28-22(31)15-14-18-9-5-4-6-10-18/h4-12,16H,2-3,13-15,17H2,1H3,(H,28,31)

InChI Key

JIVQOJCGIBKNLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-4.68

Polar Surface Area

81.483

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G357-1237 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G357-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-1237?
Check Price and Availability of G357-1237, 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 G357-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-1237
  • 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 G357-1237 available by request