G429-0063 Screening compound: {3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate

G429-0063 Screening compound: {3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate
G429-0063 Screening compound: {3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G429-0063
{3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-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

G429-0063

Molecular Formula

C20H17BrN2O5 (C20 H17 BrN2 O5)

Compound Name

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

IUPAC name

{3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[23-c]pyridin-5-yl}methyl acetate

SMILES

CC(OCc1cnc(C)c(O2)c1C=C(C(Nc(cc1)cc(C)c1Br)=O)C2=O)=O

InChI

InChI=1S/C20H17BrN2O5/c1-10-6-14(4-5-17(10)21)23-19(25)16-7-15-13(9-27-12(3)24)8-22-11(2)18(15)28-20(16)26/h4-8H,9H2,1-3H3,(H,23,25)

InChI Key

RMMRFTFUZLPNPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.61

Polar Surface Area

74.881

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G429-0063 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G429-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G429-0063?
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What is the minimum amount of G429-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G429-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G429-0063
  • 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 G429-0063 available by request