4483-1128 Screening compound: cyclohexyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

4483-1128 Screening compound: cyclohexyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
4483-1128 Screening compound: cyclohexyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1128
cyclohexyl 2-(2-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

4483-1128

Molecular Formula

C22H21NO4 (C22 H21 NO4)

Compound Name

cyclohexyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

cyclohexyl 2-(2-methylphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

Cc(cccc1)c1N(C(c(cc1)c2cc1C(OC1CCCCC1)=O)=O)C2=O

InChI

InChI=1S/C22H21NO4/c1-14-7-5-6-10-19(14)23-20(24)17-12-11-15(13-18(17)21(23)25)22(26)27-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3

InChI Key

VKXNBBVFFMLWGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-4.82

Polar Surface Area

48.663

Acid Dissociation Constant (pKa)

28.23

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4483-1128 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4483-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1128?
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What is the minimum amount of 4483-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1128
  • 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 4483-1128 available by request