4032-0384 Screening compound: ethyl 4-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

4032-0384 Screening compound: ethyl 4-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate
4032-0384 Screening compound: ethyl 4-[3-chloro-5-methoxy-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 4032-0384
ethyl 4-[3-chloro-5-methoxy-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

4032-0384

Molecular Formula

C26H22ClNO5 (C26 H22 ClNO5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cc2OC)cc(Cl)c2OCC#C)=C(C)NC(c2c3cccc2)=C1C3=O)=O

InChI

InChI=1S/C26H22ClNO5/c1-5-11-33-25-18(27)12-15(13-19(25)31-4)21-20(26(30)32-6-2)14(3)28-23-16-9-7-8-10-17(16)24(29)22(21)23/h1,7-10,12-13,21,28H,6,11H2,2-4H3/t21-/m0/s1

InChI Key

DCZKXWMKMUWSGM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03016118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-4.91

Polar Surface Area

60.048

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

4032-0384 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4032-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-0384?
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What is the minimum amount of 4032-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-0384
  • 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 4032-0384 available by request