5752-2475 Screening compound: methyl (4Z)-4-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5752-2475 Screening compound: methyl (4Z)-4-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5752-2475 Screening compound: methyl (4Z)-4-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-2475
methyl (4Z)-4-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-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

5752-2475

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

methyl (4Z)-4-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-4-{[25-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

Cc1cc(/C=C(/C(C(OC)=O)=C(C)N2Cc(cc3)ccc3OC)\C2=O)c(C)n1-c1c(C)cccc1

InChI

InChI=1S/C29H30N2O4/c1-18-9-7-8-10-26(18)31-19(2)15-23(20(31)3)16-25-27(29(33)35-6)21(4)30(28(25)32)17-22-11-13-24(34-5)14-12-22/h7-16H,17H2,1-6H3

InChI Key

JLCXUZPHWRLZIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03255915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-4.63

Polar Surface Area

47.018

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

5752-2475 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 5752-2475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-2475?
Check Price and Availability of 5752-2475, 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 5752-2475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-2475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-2475
  • 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 5752-2475 available by request