5618-4165 Screening compound: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5618-4165 Screening compound: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5618-4165 Screening compound: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-4165
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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

5618-4165

Molecular Formula

C26H31NO5 (C26 H31 NO5)

Compound Name

methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(CCC1=CCCCC1)C1=O)=C(C(OC)=O)/C1=C/c(cc1)cc(OC)c1OCC=C

InChI

InChI=1S/C26H31NO5/c1-5-15-32-22-12-11-20(17-23(22)30-3)16-21-24(26(29)31-4)18(2)27(25(21)28)14-13-19-9-7-6-8-10-19/h5,9,11-12,16-17H,1,6-8,10,13-15H2,2-4H3

InChI Key

WLUQZBOBIBPIRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03255274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.43

Polar Surface Area

52.416

Acid Dissociation Constant (pKa)

27.84

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

5618-4165 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5618-4165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-4165?
Check Price and Availability of 5618-4165, 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 5618-4165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-4165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-4165
  • 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 5618-4165 available by request