5072-0735 Screening compound: methyl (4Z)-4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5072-0735 Screening compound: methyl (4Z)-4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5072-0735 Screening compound: methyl (4Z)-4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5072-0735
methyl (4Z)-4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)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

5072-0735

Molecular Formula

C25H23BrN2O4 (C25 H23 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(/C=C(/C(C(OC)=O)=C(C)N2Cc3ccco3)\C2=O)c(C)n1-c1cccc(Br)c1

InChI

InChI=1S/C25H23BrN2O4/c1-15-11-18(16(2)28(15)20-8-5-7-19(26)13-20)12-22-23(25(30)31-4)17(3)27(24(22)29)14-21-9-6-10-32-21/h5-13H,14H2,1-4H3

InChI Key

ZLYOFVZZRVKLFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.46

Polar Surface Area

47.524

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5072-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5072-0735?
Check Price and Availability of 5072-0735, 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 5072-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5072-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5072-0735
  • 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 5072-0735 available by request