S973-0030 Screening compound: 4-[2-(3-chlorophenyl)acetyl]-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one

S973-0030 Screening compound: 4-[2-(3-chlorophenyl)acetyl]-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
S973-0030 Screening compound: 4-[2-(3-chlorophenyl)acetyl]-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S973-0030
4-[2-(3-chlorophenyl)acetyl]-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

S973-0030

Molecular Formula

C15H19ClN2O3 (C15 H19 ClN2 O3)

Compound Name

4-[2-(3-chlorophenyl)acetyl]-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one

IUPAC name

(3S5R)-4-[2-(3-chlorophenyl)acetyl]-5-(hydroxymethyl)-13-dimethylpiperazin-2-one

SMILES

C[C@@H](C(N(C)C[C@@H]1CO)=O)N1C(Cc1cccc(Cl)c1)=O

InChI

InChI=1S/C15H19ClN2O3/c1-10-15(21)17(2)8-13(9-19)18(10)14(20)7-11-4-3-5-12(16)6-11/h3-6,10,13,19H,7-9H2,1-2H3/t10-,13+/m0/s1

InChI Key

JQPBUUVWTKIPKF-GXFFZTMASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-2.02

Polar Surface Area

48.230

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

S973-0030 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S973-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S973-0030?
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What is the minimum amount of S973-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S973-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S973-0030
  • 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 S973-0030 available by request