G429-0149 Screening compound: methyl 4-{8-methyl-2-oxo-5-[(propanoyloxy)methyl]-2H-pyrano[2,3-c]pyridine-3-amido}benzoate

G429-0149 Screening compound: methyl 4-{8-methyl-2-oxo-5-[(propanoyloxy)methyl]-2H-pyrano[2,3-c]pyridine-3-amido}benzoate
G429-0149 Screening compound: methyl 4-{8-methyl-2-oxo-5-[(propanoyloxy)methyl]-2H-pyrano[2,3-c]pyridine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G429-0149
methyl 4-{8-methyl-2-oxo-5-[(propanoyloxy)methyl]-2H-pyrano[2,3-c]pyridine-3-amido}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

G429-0149

Molecular Formula

C22H20N2O7 (C22 H20 N2 O7)

Compound Name

methyl 4-{8-methyl-2-oxo-5-[(propanoyloxy)methyl]-2H-pyrano[2,3-c]pyridine-3-amido}benzoate

IUPAC name

methyl 4-{8-methyl-2-oxo-5-[(propanoyloxy)methyl]-2H-pyrano[23-c]pyridine-3-amido}benzoate

SMILES

CCC(OCc1cnc(C)c(O2)c1C=C(C(Nc(cc1)ccc1C(OC)=O)=O)C2=O)=O

InChI

InChI=1S/C22H20N2O7/c1-4-18(25)30-11-14-10-23-12(2)19-16(14)9-17(22(28)31-19)20(26)24-15-7-5-13(6-8-15)21(27)29-3/h5-10H,4,11H2,1-3H3,(H,24,26)

InChI Key

YXJAGRXUSJILOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.39

Polar Surface Area

95.358

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G429-0149 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G429-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G429-0149?
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What is the minimum amount of G429-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G429-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G429-0149
  • 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 G429-0149 available by request