F896-0474 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide

F896-0474 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide
F896-0474 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F896-0474
N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-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

F896-0474

Molecular Formula

C18H20ClN5O3S2 (C18 H20 ClN5 O3 S2)

Compound Name

N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-(6-chloro-13-benzothiazol-2-yl)-1-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide

SMILES

Cc1nc(S(N(CC2)CCC2C(Nc2nc(ccc(Cl)c3)c3s2)=O)(=O)=O)cn1C

InChI

InChI=1S/C18H20ClN5O3S2/c1-11-20-16(10-23(11)2)29(26,27)24-7-5-12(6-8-24)17(25)22-18-21-14-4-3-13(19)9-15(14)28-18/h3-4,9-10,12H,5-8H2,1-2H3,(H,21,22,25)

InChI Key

XTFYLMNAWQOGJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.58

Polar Surface Area

77.152

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

F896-0474 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F896-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F896-0474?
Check Price and Availability of F896-0474, 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 F896-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F896-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F896-0474
  • 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 F896-0474 available by request