5752-2876 Screening compound: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5752-2876 Screening compound: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5752-2876 Screening compound: methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-2876
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]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

5752-2876

Molecular Formula

C30H36N2O4 (C30 H36 N2 O4)

Compound Name

methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]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-{[1-(4-ethoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOc(cc1)ccc1-n1c(C)c(/C=C(/C(C(OC)=O)=C(C)N2CCC3=CCCCC3)\C2=O)cc1C

InChI

InChI=1S/C30H36N2O4/c1-6-36-26-14-12-25(13-15-26)32-20(2)18-24(21(32)3)19-27-28(30(34)35-5)22(4)31(29(27)33)17-16-23-10-8-7-9-11-23/h10,12-15,18-19H,6-9,11,16-17H2,1-5H3

InChI Key

RSEKTZFPVZTZKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03261346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-5.15

Polar Surface Area

47.069

Acid Dissociation Constant (pKa)

27.84

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5752-2876 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 5752-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-2876?
Check Price and Availability of 5752-2876, 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 5752-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-2876
  • 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 5752-2876 available by request