2150-0442 Screening compound: (3E)-3-[(4-methoxyphenyl)methylidene]-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one

2150-0442 Screening compound: (3E)-3-[(4-methoxyphenyl)methylidene]-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one
2150-0442 Screening compound: (3E)-3-[(4-methoxyphenyl)methylidene]-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2150-0442
(3E)-3-[(4-methoxyphenyl)methylidene]-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-2,3-dihydro-1H-pyrrol-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

2150-0442

Molecular Formula

C30H22N2O4S (C30 H22 N2 O4 S)

Compound Name

(3E)-3-[(4-methoxyphenyl)methylidene]-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-2,3-dihydro-1H-pyrrol-2-one

IUPAC name

(3E)-3-[(4-methoxyphenyl)methylidene]-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-23-dihydro-1H-pyrrol-2-one

SMILES

COc1ccc(/C=C(\C=C(c2ccccc2)N2c(cc3)ccc3Sc(cc3)ccc3[N+]([O-])=O)/C2=O)cc1

InChI

InChI=1S/C30H22N2O4S/c1-36-26-13-7-21(8-14-26)19-23-20-29(22-5-3-2-4-6-22)31(30(23)33)24-9-15-27(16-10-24)37-28-17-11-25(12-18-28)32(34)35/h2-20H,1H3

InChI Key

WJZAMXUYPWPPMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.315

Distribution Coefficient, logD

7.315

Water Solubility, LogSw

-5.87

Polar Surface Area

55.701

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

References: we are preparing a list of scientific research reports with 2150-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2150-0442?
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What is the minimum amount of 2150-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2150-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2150-0442
  • 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 2150-0442 available by request