P888-0355 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-one

P888-0355 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-one
P888-0355 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P888-0355
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-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

P888-0355

Molecular Formula

C23H35N3O4 (C23 H35 N3 O4)

Compound Name

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-one

IUPAC name

1-[2-(34-dimethoxyphenyl)ethyl]-4-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-one

SMILES

CC(C)CN(CC1)CCN1C(C(C1)CN(CCc(cc2)cc(OC)c2OC)C1=O)=O

InChI

InChI=1S/C23H35N3O4/c1-17(2)15-24-9-11-25(12-10-24)23(28)19-14-22(27)26(16-19)8-7-18-5-6-20(29-3)21(13-18)30-4/h5-6,13,17,19H,7-12,14-16H2,1-4H3/t19-/m1/s1

InChI Key

ADJDFAXNPSOKRG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27615930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.260

Distribution Coefficient, logD

0.796

Water Solubility, LogSw

-1.92

Polar Surface Area

53.134

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

P888-0355 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P888-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P888-0355?
Check Price and Availability of P888-0355, 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 P888-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P888-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P888-0355
  • 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 P888-0355 available by request