Y206-5272 Screening compound: 2,5-difluorophenyl hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl sulfone

Y206-5272 Screening compound: 2,5-difluorophenyl hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl sulfone
Y206-5272 Screening compound: 2,5-difluorophenyl hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-5272
2,5-difluorophenyl hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl sulfone

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

Y206-5272

Molecular Formula

C13H16F2N2O2S (C13 H16 F2 N2 O2 S)

Compound Name

2,5-difluorophenyl hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl sulfone

IUPAC name

2-(25-difluorobenzenesulfonyl)-octahydropyrrolo[12-a]pyrazine

SMILES

O=S(c(cc(cc1)F)c1F)(N1CC(CCC2)N2CC1)=O

InChI

InChI=1S/C13H16F2N2O2S/c14-10-3-4-12(15)13(8-10)20(18,19)17-7-6-16-5-1-2-11(16)9-17/h3-4,8,11H,1-2,5-7,9H2/t11-/m0/s1

InChI Key

RLGWGUXZIUQJPQ-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.858

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-2.38

Polar Surface Area

35.583

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

Y206-5272 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

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 Y206-5272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-5272?
Check Price and Availability of Y206-5272, 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 Y206-5272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-5272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-5272
  • 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 Y206-5272 available by request