G601-0013 Screening compound: {8-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate

G601-0013 Screening compound: {8-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate
G601-0013 Screening compound: {8-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G601-0013
{8-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate

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

G601-0013

Molecular Formula

C21H17N3O5 (C21 H17 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(OCc1cnc(C)c(O2)c1C=C(c1nc(-c3c(C)cccc3)no1)C2=O)=O

InChI

InChI=1S/C21H17N3O5/c1-11-6-4-5-7-15(11)19-23-20(29-24-19)17-8-16-14(10-27-13(3)25)9-22-12(2)18(16)28-21(17)26/h4-9H,10H2,1-3H3

InChI Key

ATZHRONRFBOFNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.42

Polar Surface Area

83.195

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G601-0013 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G601-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G601-0013?
Check Price and Availability of G601-0013, 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 G601-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G601-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G601-0013
  • 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 G601-0013 available by request