5752-2472 Screening compound: methyl (4Z)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5752-2472 Screening compound: methyl (4Z)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5752-2472 Screening compound: methyl (4Z)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-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 5752-2472
methyl (4Z)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-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

5752-2472

Molecular Formula

C28H27FN2O4 (C28 H27 FN2 O4)

Compound Name

methyl (4Z)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-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-{[1-(2-fluorophenyl)-25-dimethyl-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-c(cccc1)c1F

InChI

InChI=1S/C28H27FN2O4/c1-17-14-21(18(2)31(17)25-9-7-6-8-24(25)29)15-23-26(28(33)35-5)19(3)30(27(23)32)16-20-10-12-22(34-4)13-11-20/h6-15H,16H2,1-5H3

InChI Key

CCXGPTTUQOMAFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03260422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

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

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.34

Polar Surface Area

47.018

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5752-2472 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 5752-2472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-2472?
Check Price and Availability of 5752-2472, 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 5752-2472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-2472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-2472
  • 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 5752-2472 available by request