2150-0567 Screening compound: methyl 5-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate

2150-0567 Screening compound: methyl 5-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate
2150-0567 Screening compound: methyl 5-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2150-0567
methyl 5-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate

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

2150-0567

Molecular Formula

C26H19BrClNO4 (C26 H19 BrClNO4)

Compound Name

methyl 5-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate

IUPAC name

methyl 5-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-23-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoate

SMILES

COC(c(cc(cc1)N(C(c2ccccc2)=C/C2=C\c(cc3)cc(Br)c3OC)C2=O)c1Cl)=O

InChI

InChI=1S/C26H19BrClNO4/c1-32-24-11-8-16(13-21(24)27)12-18-14-23(17-6-4-3-5-7-17)29(25(18)30)19-9-10-22(28)20(15-19)26(31)33-2/h3-15H,1-2H3

InChI Key

KFKHHJQNQFYWCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.08

Polar Surface Area

43.852

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 2150-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2150-0567?
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What is the minimum amount of 2150-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2150-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2150-0567
  • 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 2150-0567 available by request