4319-0048 Screening compound: 3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

4319-0048 Screening compound: 3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one
4319-0048 Screening compound: 3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4319-0048
3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-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

4319-0048

Molecular Formula

C24H20N2O5 (C24 H20 N2 O5)

Compound Name

3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1c(CN(C(C2(CC(c(cc3)ccc3[N+]([O-])=O)=O)O)=O)c3c2cccc3)cccc1

InChI

InChI=1S/C24H20N2O5/c1-16-6-2-3-7-18(16)15-25-21-9-5-4-8-20(21)24(29,23(25)28)14-22(27)17-10-12-19(13-11-17)26(30)31/h2-13,29H,14-15H2,1H3/t24-/m0/s1

InChI Key

SWKHIBRWEQKGHD-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD08086180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

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

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.28

Polar Surface Area

77.424

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4319-0048 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4319-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4319-0048?
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What is the minimum amount of 4319-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4319-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4319-0048
  • 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 4319-0048 available by request