4483-1413 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-(3-chloro-4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

4483-1413 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-(3-chloro-4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
4483-1413 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-(3-chloro-4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1413
2-(4-nitrophenyl)-2-oxoethyl 2-(3-chloro-4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-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

4483-1413

Molecular Formula

C24H15ClN2O7 (C24 H15 ClN2 O7)

Compound Name

2-(4-nitrophenyl)-2-oxoethyl 2-(3-chloro-4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

2-(4-nitrophenyl)-2-oxoethyl 2-(3-chloro-4-methylphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

Cc(ccc(N(C(c(cc1)c2cc1C(OCC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O)C2=O)c1)c1Cl

InChI

InChI=1S/C24H15ClN2O7/c1-13-2-6-17(11-20(13)25)26-22(29)18-9-5-15(10-19(18)23(26)30)24(31)34-12-21(28)14-3-7-16(8-4-14)27(32)33/h2-11H,12H2,1H3

InChI Key

CDMVEHXMOCKBHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.85

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.135

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.38

Polar Surface Area

96.366

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4483-1413 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4483-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1413?
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What is the minimum amount of 4483-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1413
  • 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 4483-1413 available by request