4767-0888 Screening compound: methyl 4-[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

4767-0888 Screening compound: methyl 4-[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate
4767-0888 Screening compound: methyl 4-[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4767-0888
methyl 4-[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

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

4767-0888

Molecular Formula

C24H18ClNO4 (C24 H18 ClNO4)

Compound Name

methyl 4-[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

IUPAC name

methyl 4-[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H4H5H-indeno[12-b]pyridine-3-carboxylate

SMILES

CC(NC(c1c2cccc1)=C(C1c(cc3)cc(Cl)c3OCC#C)C2=O)=C1C(OC)=O

InChI

InChI=1S/C24H18ClNO4/c1-4-11-30-18-10-9-14(12-17(18)25)20-19(24(28)29-3)13(2)26-22-15-7-5-6-8-16(15)23(27)21(20)22/h1,5-10,12,20,26H,11H2,2-3H3/t20-/m0/s1

InChI Key

MWGCXBLVVMLKLY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02228786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

0.169

Water Solubility, LogSw

-4.53

Polar Surface Area

52.751

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4767-0888 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4767-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4767-0888?
Check Price and Availability of 4767-0888, 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 4767-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4767-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4767-0888
  • 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 4767-0888 available by request