3141-0078 Screening compound: 5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-4-[(2Z)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-2-one

3141-0078 Screening compound: 5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-4-[(2Z)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-2-one
3141-0078 Screening compound: 5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-4-[(2Z)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3141-0078
5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-4-[(2Z)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-2-one

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

3141-0078

Molecular Formula

C28H26N2O4 (C28 H26 N2 O4)

Compound Name

5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-4-[(2Z)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-4-[(2Z)-3-phenylprop-2-enoyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CN(C)c1ccc(C(C(C(/C=C\c2ccccc2)=O)=C(C2=O)O)N2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C28H26N2O4/c1-29(2)21-12-10-20(11-13-21)26-25(24(31)18-9-19-7-5-4-6-8-19)27(32)28(33)30(26)22-14-16-23(34-3)17-15-22/h4-18,26,32H,1-3H3/t26-/m0/s1

InChI Key

VNKULUGHRDZLJG-SANMLTNESA-N

MDL Number (MFCD)

MFCD02641711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.557

Water Solubility, LogSw

-4.38

Polar Surface Area

54.072

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3141-0078 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3141-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3141-0078?
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What is the minimum amount of 3141-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3141-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3141-0078
  • 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 3141-0078 available by request