F952-0604 Screening compound: N,N-diethyl-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F952-0604 Screening compound: N,N-diethyl-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F952-0604 Screening compound: N,N-diethyl-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F952-0604
N,N-diethyl-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

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

F952-0604

Molecular Formula

C19H27N3O4S2 (C19 H27 N3 O4 S2)

Compound Name

N,N-diethyl-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

NN-diethyl-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(S2)c1N(CCC(N1CCCCC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C19H27N3O4S2/c1-3-21(4-2)28(25,26)15-8-9-16-17(14-15)27-19(24)22(16)13-10-18(23)20-11-6-5-7-12-20/h8-9,14H,3-7,10-13H2,1-2H3

InChI Key

GZUGURMWBDMCOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.42

Polar Surface Area

63.279

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

F952-0604 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F952-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F952-0604?
Check Price and Availability of F952-0604, 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 F952-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F952-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F952-0604
  • 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 F952-0604 available by request