G601-0044 Screening compound: {3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl propanoate

G601-0044 Screening compound: {3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl propanoate
G601-0044 Screening compound: {3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G601-0044
{3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl propanoate

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

G601-0044

Molecular Formula

C22H17N3O7 (C22 H17 N3 O7)

Compound Name

{3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl propanoate

IUPAC name

{3-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-8-methyl-2-oxo-2H-pyrano[23-c]pyridin-5-yl}methyl propanoate

SMILES

CCC(OCc1cnc(C)c(O2)c1C=C(c1nc(-c(cc3)cc4c3OCO4)no1)C2=O)=O

InChI

InChI=1S/C22H17N3O7/c1-3-18(26)28-9-13-8-23-11(2)19-14(13)7-15(22(27)31-19)21-24-20(25-32-21)12-4-5-16-17(6-12)30-10-29-16/h4-8H,3,9-10H2,1-2H3

InChI Key

OZWFJZJHDLDELV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.90

Polar Surface Area

99.614

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G601-0044 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G601-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G601-0044?
Check Price and Availability of G601-0044, 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 G601-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G601-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G601-0044
  • 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 G601-0044 available by request