Y300-2698 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-fluorophenyl)methanesulfonyl]piperazine

Y300-2698 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-fluorophenyl)methanesulfonyl]piperazine
Y300-2698 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-fluorophenyl)methanesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-2698
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-fluorophenyl)methanesulfonyl]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

Y300-2698

Molecular Formula

C19H21FN2O4S (C19 H21 FN2 O4 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-fluorophenyl)methanesulfonyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[(2-fluorophenyl)methanesulfonyl]piperazine

SMILES

O=S(Cc(cccc1)c1F)(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C19H21FN2O4S/c20-17-4-2-1-3-16(17)13-27(23,24)22-9-7-21(8-10-22)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11H,7-10,12-14H2

InChI Key

CQBZPYOYFFROCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24858042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

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

2.646

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.95

Polar Surface Area

52.500

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

Y300-2698 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y300-2698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-2698?
Check Price and Availability of Y300-2698, 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 Y300-2698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-2698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-2698
  • 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 Y300-2698 available by request