F223-0954 Screening compound: N-(6-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2-yl)butanamide

F223-0954 Screening compound: N-(6-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2-yl)butanamide
F223-0954 Screening compound: N-(6-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F223-0954
N-(6-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2-yl)butanamide

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

F223-0954

Molecular Formula

C24H27ClN4O2S (C24 H27 ClN4 O2 S)

Compound Name

N-(6-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2-yl)butanamide

IUPAC name

N-(6-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-13-benzothiazol-2-yl)butanamide

SMILES

CCCC(Nc1nc(ccc(CC(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)c2)c2s1)=O

InChI

InChI=1S/C24H27ClN4O2S/c1-3-4-22(30)27-24-26-19-8-6-17(13-21(19)32-24)14-23(31)29-11-9-28(10-12-29)20-15-18(25)7-5-16(20)2/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,26,27,30)

InChI Key

QQLILLGPQCMEEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14945325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.75

Polar Surface Area

52.229

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F223-0954 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F223-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F223-0954?
Check Price and Availability of F223-0954, 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 F223-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F223-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F223-0954
  • 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 F223-0954 available by request