G025-0122F Screening compound: 2-{4-[(3-methylpiperidino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

G025-0122F Screening compound: 2-{4-[(3-methylpiperidino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione
G025-0122F Screening compound: 2-{4-[(3-methylpiperidino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0122F
2-{4-[(3-methylpiperidino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

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

G025-0122F

Molecular Formula

C16H22N2O3S (C16 H22 N2 O3 S)

Compound Name

2-{4-[(3-methylpiperidino)carbonyl]phenyl}tetrahydro-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

2-[4-(3-methylpiperidine-1-carbonyl)phenyl]-1lambda62-thiazolidine-11-dione

SMILES

CC(CCC1)CN1C(c(cc1)ccc1N(CCC1)S1(=O)=O)=O

InChI

InChI=1S/C16H22N2O3S/c1-13-4-2-9-17(12-13)16(19)14-5-7-15(8-6-14)18-10-3-11-22(18,20)21/h5-8,13H,2-4,9-12H2,1H3/t13-/m0/s1

InChI Key

FSWSBZYBTZTAHQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10825762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.410

Distribution Coefficient, logD

1.410

Water Solubility, LogSw

-2.19

Polar Surface Area

48.856

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

G025-0122F in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G025-0122F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0122F?
Check Price and Availability of G025-0122F, 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 G025-0122F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0122F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0122F
  • 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 G025-0122F available by request