5184-0038 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]-2,3-dihydro-1H-indol-2-one

5184-0038 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]-2,3-dihydro-1H-indol-2-one
5184-0038 Screening compound: 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5184-0038
1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]-2,3-dihydro-1H-indol-2-one

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

5184-0038

Molecular Formula

C26H18ClNO5 (C26 H18 ClNO5)

Compound Name

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]-23-dihydro-1H-indol-2-one

SMILES

OC(CC(C1=Cc(cccc2)c2OC1=O)=O)(c(cccc1)c1N1Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C26H18ClNO5/c27-20-10-4-1-8-17(20)15-28-21-11-5-3-9-19(21)26(32,25(28)31)14-22(29)18-13-16-7-2-6-12-23(16)33-24(18)30/h1-13,32H,14-15H2/t26-/m0/s1

InChI Key

PVECZOUIBQPFSW-SANMLTNESA-N

MDL Number (MFCD)

MFCD02604427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.09

Polar Surface Area

64.964

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

5184-0038 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5184-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5184-0038?
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What is the minimum amount of 5184-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5184-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5184-0038
  • 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 5184-0038 available by request