G001-0730 Screening compound: ethyl 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-3-piperidinecarboxylate

G001-0730 Screening compound: ethyl 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-3-piperidinecarboxylate
G001-0730 Screening compound: ethyl 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G001-0730
ethyl 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-3-piperidinecarboxylate

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

G001-0730

Molecular Formula

C18H21FN2O4S (C18 H21 FN2 O4 S)

Compound Name

ethyl 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-3-piperidinecarboxylate

IUPAC name

ethyl 1-[5-(4-fluorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C(C)=C1c(cc2)ccc2F)=NS1(=O)=O)=O

InChI

InChI=1S/C18H21FN2O4S/c1-3-25-18(22)14-5-4-10-21(11-14)17-12(2)16(26(23,24)20-17)13-6-8-15(19)9-7-13/h6-9,14H,3-5,10-11H2,1-2H3/t14-/m0/s1

InChI Key

HWFHPLBJMDDFLY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14974248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

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

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.06

Polar Surface Area

63.817

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with G001-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G001-0730?
Check Price and Availability of G001-0730, 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 G001-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G001-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G001-0730
  • 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 G001-0730 available by request