G357-2061 Screening compound: {2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-ethoxybenzamido)benzoate

G357-2061 Screening compound: {2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-ethoxybenzamido)benzoate
G357-2061 Screening compound: {2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-ethoxybenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2061
{2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 4-(4-ethoxybenzamido)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

G357-2061

Molecular Formula

C24H21N3O5S (C24 H21 N3 O5 S)

Compound Name

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

IUPAC name

{2-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl 4-(4-ethoxybenzamido)benzoate

SMILES

CCOc(cc1)ccc1C(Nc(cc1)ccc1C(OCC(N=C1SC(C)=CN11)=CC1=O)=O)=O

InChI

InChI=1S/C24H21N3O5S/c1-3-31-20-10-6-16(7-11-20)22(29)25-18-8-4-17(5-9-18)23(30)32-14-19-12-21(28)27-13-15(2)33-24(27)26-19/h4-13H,3,14H2,1-2H3,(H,25,29)

InChI Key

VTSAGGLKRIQTPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

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

3.583

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.71

Polar Surface Area

77.785

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G357-2061 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 G357-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2061?
Check Price and Availability of G357-2061, 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 G357-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2061
  • 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 G357-2061 available by request