F952-0080 Screening compound: 6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazol-2-one

F952-0080 Screening compound: 6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazol-2-one
F952-0080 Screening compound: 6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F952-0080
6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazol-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

F952-0080

Molecular Formula

C24H34N4O4S2 (C24 H34 N4 O4 S2)

Compound Name

6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-23-dihydro-13-benzothiazol-2-one

SMILES

O=C(CCN(c(ccc(S(N(CC1)CCN1C1CCCCC1)(=O)=O)c1)c1S1)C1=O)N1CCCC1

InChI

InChI=1S/C24H34N4O4S2/c29-23(26-11-4-5-12-26)10-13-28-21-9-8-20(18-22(21)33-24(28)30)34(31,32)27-16-14-25(15-17-27)19-6-2-1-3-7-19/h8-9,18-19H,1-7,10-17H2

InChI Key

CBJGCOILAQKVFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.90

Polar Surface Area

67.353

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

F952-0080 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F952-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F952-0080?
Check Price and Availability of F952-0080, 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 F952-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F952-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F952-0080
  • 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 F952-0080 available by request