Y031-4005 Screening compound: 1-(tert-butyl)-4-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-pyrrolidinone

Y031-4005 Screening compound: 1-(tert-butyl)-4-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-pyrrolidinone
Y031-4005 Screening compound: 1-(tert-butyl)-4-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4005
1-(tert-butyl)-4-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-pyrrolidinone

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

Y031-4005

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

1-(tert-butyl)-4-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-pyrrolidinone

IUPAC name

1-tert-butyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

SMILES

CC(C)(C)N(CC(C1)C(N(CC2)CCN2c(cccc2)c2OC)=O)C1=O

InChI

InChI=1S/C20H29N3O3/c1-20(2,3)23-14-15(13-18(23)24)19(25)22-11-9-21(10-12-22)16-7-5-6-8-17(16)26-4/h5-8,15H,9-14H2,1-4H3/t15-/m1/s1

InChI Key

XDJDQGBKHZZLRF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08090686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.876

Water Solubility, LogSw

-2.10

Polar Surface Area

45.193

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

Y031-4005 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-4005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4005?
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What is the minimum amount of Y031-4005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4005
  • 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 Y031-4005 available by request