F692-0417 Screening compound: N~2~-[2-(4-benzylpiperidino)ethyl]-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

F692-0417 Screening compound: N~2~-[2-(4-benzylpiperidino)ethyl]-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide
F692-0417 Screening compound: N~2~-[2-(4-benzylpiperidino)ethyl]-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F692-0417
N~2~-[2-(4-benzylpiperidino)ethyl]-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

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

F692-0417

Molecular Formula

C27H30N4O2S (C27 H30 N4 O2 S)

Compound Name

N~2~-[2-(4-benzylpiperidino)ethyl]-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-45-dimethyl-13-oxo-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-11-carboxamide

SMILES

Cc(c(C)c1)cc(n23)c1nc3SC(C(NCCN1CCC(Cc3ccccc3)CC1)=O)=CC2=O

InChI

InChI=1S/C27H30N4O2S/c1-18-14-22-23(15-19(18)2)31-25(32)17-24(34-27(31)29-22)26(33)28-10-13-30-11-8-21(9-12-30)16-20-6-4-3-5-7-20/h3-7,14-15,17,21H,8-13,16H2,1-2H3,(H,28,33)

InChI Key

WNRFDJWZSUDIHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.69

Polar Surface Area

52.602

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F692-0417 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F692-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F692-0417?
Check Price and Availability of F692-0417, 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 F692-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F692-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F692-0417
  • 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 F692-0417 available by request