4593-5484 Screening compound: 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

4593-5484 Screening compound: 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
4593-5484 Screening compound: 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-5484
2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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

4593-5484

Molecular Formula

C27H22ClN3O4S (C27 H22 ClN3 O4 S)

Compound Name

2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-46-dioxo-hexahydro-2H-pyrrolo[34-d][12]oxazol-5-yl]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

COc1ccc(C(C2C(N3c(sc4c5CCCC4)c5C#N)=O)N(c(cc4)ccc4Cl)OC2C3=O)cc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-5.32

Polar Surface Area

69.223

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

29.60

4593-5484 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4593-5484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-5484?
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What is the minimum amount of 4593-5484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-5484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-5484
  • 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 4593-5484 available by request