S973-0088 Screening compound: 4-(2-ethylbenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one

S973-0088 Screening compound: 4-(2-ethylbenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
S973-0088 Screening compound: 4-(2-ethylbenzenesulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S973-0088
4-(2-ethylbenzenesulfonyl)-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

S973-0088

Molecular Formula

C15H22N2O4S (C15 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1S(N([C@H]1C)[C@@H](CO)CN(C)C1=O)(=O)=O

InChI

InChI=1S/C15H22N2O4S/c1-4-12-7-5-6-8-14(12)22(20,21)17-11(2)15(19)16(3)9-13(17)10-18/h5-8,11,13,18H,4,9-10H2,1-3H3/t11-,13+/m0/s1

InChI Key

GTAPDPVEFRHVLC-WCQYABFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

0.915

Water Solubility, LogSw

-1.96

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

53.33

S973-0088 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S973-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S973-0088?
Check Price and Availability of S973-0088, 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 S973-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S973-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S973-0088
  • 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 S973-0088 available by request