S973-0011 Screening compound: 4-(4-fluorobenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one

S973-0011 Screening compound: 4-(4-fluorobenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
S973-0011 Screening compound: 4-(4-fluorobenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S973-0011
4-(4-fluorobenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one

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

S973-0011

Molecular Formula

C13H17FN2O4S (C13 H17 FN2 O4 S)

Compound Name

4-(4-fluorobenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one

IUPAC name

(3S5R)-4-(4-fluorobenzenesulfonyl)-5-(hydroxymethyl)-13-dimethylpiperazin-2-one

SMILES

C[C@@H](C(N(C)C[C@@H]1CO)=O)N1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C13H17FN2O4S/c1-9-13(18)15(2)7-11(8-17)16(9)21(19,20)12-5-3-10(14)4-6-12/h3-6,9,11,17H,7-8H2,1-2H3/t9-,11+/m0/s1

InChI Key

FHWSMHUEWPRRRC-GXSJLCMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.266

Distribution Coefficient, logD

0.266

Water Solubility, LogSw

-2.15

Polar Surface Area

65.374

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.15

S973-0011 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S973-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S973-0011?
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What is the minimum amount of S973-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S973-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S973-0011
  • 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 S973-0011 available by request