8013-6473 Screening compound: methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate

8013-6473 Screening compound: methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
8013-6473 Screening compound: methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6473
methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-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

8013-6473

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-4-[(34-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(Cc1cnccc1)C1=O)=C(C(OC)=O)/C1=C/c(cc1)cc(OC)c1OC

InChI

InChI=1S/C22H22N2O5/c1-14-20(22(26)29-4)17(10-15-7-8-18(27-2)19(11-15)28-3)21(25)24(14)13-16-6-5-9-23-12-16/h5-12H,13H2,1-4H3

InChI Key

MZVBRBHBDFJHJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.19

Polar Surface Area

61.889

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 8013-6473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6473?
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What is the minimum amount of 8013-6473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6473
  • 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 8013-6473 available by request