3958-4162 Screening compound: ethyl 4-(5-{[(3E)-1-[4-(dimethylamino)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

3958-4162 Screening compound: ethyl 4-(5-{[(3E)-1-[4-(dimethylamino)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate
3958-4162 Screening compound: ethyl 4-(5-{[(3E)-1-[4-(dimethylamino)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3958-4162
ethyl 4-(5-{[(3E)-1-[4-(dimethylamino)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

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

3958-4162

Molecular Formula

C32H28N2O4 (C32 H28 N2 O4)

Compound Name

ethyl 4-(5-{[(3E)-1-[4-(dimethylamino)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(3E)-1-[4-(dimethylamino)phenyl]-2-oxo-5-phenyl-23-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(\C=C(c2ccccc2)N2c(cc3)ccc3N(C)C)/C2=O)o1)=O

InChI

InChI=1S/C32H28N2O4/c1-4-37-32(36)24-12-10-23(11-13-24)30-19-18-28(38-30)20-25-21-29(22-8-6-5-7-9-22)34(31(25)35)27-16-14-26(15-17-27)33(2)3/h5-21H,4H2,1-3H3

InChI Key

CAODZKBLLGKNNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01444276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.124

Distribution Coefficient, logD

7.124

Water Solubility, LogSw

-5.89

Polar Surface Area

46.176

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3958-4162 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3958-4162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3958-4162?
Check Price and Availability of 3958-4162, 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 3958-4162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3958-4162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3958-4162
  • 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 3958-4162 available by request