Y031-6177 Screening compound: 1-ethyl-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

Y031-6177 Screening compound: 1-ethyl-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine
Y031-6177 Screening compound: 1-ethyl-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6177
1-ethyl-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

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

Y031-6177

Molecular Formula

C17H25N3O3S (C17 H25 N3 O3 S)

Compound Name

1-ethyl-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

IUPAC name

1-ethyl-4-[3-(pyrrolidine-1-sulfonyl)benzoyl]piperazine

SMILES

CCN(CC1)CCN1C(c1cccc(S(N2CCCC2)(=O)=O)c1)=O

InChI

InChI=1S/C17H25N3O3S/c1-2-18-10-12-19(13-11-18)17(21)15-6-5-7-16(14-15)24(22,23)20-8-3-4-9-20/h5-7,14H,2-4,8-13H2,1H3

InChI Key

WQCPLKBVDBOQBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09461022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.028

Distribution Coefficient, logD

0.852

Water Solubility, LogSw

-2.33

Polar Surface Area

52.500

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

Y031-6177 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-6177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6177?
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What is the minimum amount of Y031-6177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6177
  • 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 Y031-6177 available by request