4514-1296 Screening compound: 1-(3-ethoxyphenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione

4514-1296 Screening compound: 1-(3-ethoxyphenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
4514-1296 Screening compound: 1-(3-ethoxyphenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1296
1-(3-ethoxyphenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione

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

4514-1296

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

1-(3-ethoxyphenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione

IUPAC name

1-(3-ethoxyphenyl)-3-[4-(pyridin-2-yl)piperazin-1-yl]pyrrolidine-25-dione

SMILES

CCOc1cccc(N(C(CC2N(CC3)CCN3c3ncccc3)=O)C2=O)c1

InChI

InChI=1S/C21H24N4O3/c1-2-28-17-7-5-6-16(14-17)25-20(26)15-18(21(25)27)23-10-12-24(13-11-23)19-8-3-4-9-22-19/h3-9,14,18H,2,10-13,15H2,1H3/t18-/m0/s1

InChI Key

XZGVLGOPGFBBGC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01471504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.076

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.55

Polar Surface Area

50.883

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

4514-1296 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4514-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1296?
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What is the minimum amount of 4514-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1296
  • 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 4514-1296 available by request