5618-4102 Screening compound: methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5618-4102 Screening compound: methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5618-4102 Screening compound: methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-4102
methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-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

5618-4102

Molecular Formula

C22H21NO6 (C22 H21 NO6)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C1=O)c(cc2)cc(OC)c2OC)=C(C(OC)=O)/C1=C/c(cccc1)c1O

InChI

InChI=1S/C22H21NO6/c1-13-20(22(26)29-4)16(11-14-7-5-6-8-17(14)24)21(25)23(13)15-9-10-18(27-2)19(12-15)28-3/h5-12,24H,1-4H3

InChI Key

SZLUZRJUQIEWNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03257190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-2.80

Polar Surface Area

68.308

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5618-4102 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5618-4102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-4102?
Check Price and Availability of 5618-4102, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5618-4102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-4102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-4102
  • 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 5618-4102 available by request