Y206-5981 Screening compound: N~1~-(3-bromophenyl)-4-cyclopentyltetrahydro-1(2H)-pyrazinecarboxamide

Y206-5981 Screening compound: N~1~-(3-bromophenyl)-4-cyclopentyltetrahydro-1(2H)-pyrazinecarboxamide
Y206-5981 Screening compound: N~1~-(3-bromophenyl)-4-cyclopentyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-5981
N~1~-(3-bromophenyl)-4-cyclopentyltetrahydro-1(2H)-pyrazinecarboxamide

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

Y206-5981

Molecular Formula

C16H22BrN3O (C16 H22 BrN3 O)

Compound Name

N~1~-(3-bromophenyl)-4-cyclopentyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(3-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide

SMILES

O=C(Nc1cccc(Br)c1)N(CC1)CCN1C1CCCC1

InChI

InChI=1S/C16H22BrN3O/c17-13-4-3-5-14(12-13)18-16(21)20-10-8-19(9-11-20)15-6-1-2-7-15/h3-5,12,15H,1-2,6-11H2,(H,18,21)

InChI Key

CXRXPXKIMQROCV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-3.59

Polar Surface Area

29.167

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

Y206-5981 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y206-5981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-5981?
Check Price and Availability of Y206-5981, 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 Y206-5981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-5981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-5981
  • 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 Y206-5981 available by request