4207-3496 Screening compound: methyl (4Z)-4-{[1-(4-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

4207-3496 Screening compound: methyl (4Z)-4-{[1-(4-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
4207-3496 Screening compound: methyl (4Z)-4-{[1-(4-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 4207-3496
methyl (4Z)-4-{[1-(4-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

4207-3496

Molecular Formula

C25H23BrN2O4 (C25 H23 BrN2 O4)

Compound Name

methyl (4Z)-4-{[1-(4-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-(4-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-c(cc1)ccc1Br

InChI

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

InChI Key

VMJHAFBDSIYHNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546688

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

4.676

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.52

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

4207-3496 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4207-3496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4207-3496?
Check Price and Availability of 4207-3496, 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 4207-3496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4207-3496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4207-3496
  • 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 4207-3496 available by request