F222-0467 Screening compound: 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-methoxy-5-methylphenyl)propanamide

F222-0467 Screening compound: 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-methoxy-5-methylphenyl)propanamide
F222-0467 Screening compound: 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-methoxy-5-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F222-0467
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-methoxy-5-methylphenyl)propanamide

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

F222-0467

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-methoxy-5-methylphenyl)propanamide

IUPAC name

3-(2-acetamido-13-benzothiazol-6-yl)-N-(2-methoxy-5-methylphenyl)propanamide

SMILES

CC(Nc1nc(ccc(CCC(Nc(cc(C)cc2)c2OC)=O)c2)c2s1)=O

InChI

InChI=1S/C20H21N3O3S/c1-12-4-8-17(26-3)16(10-12)22-19(25)9-6-14-5-7-15-18(11-14)27-20(23-15)21-13(2)24/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,22,25)(H,21,23,24)

InChI Key

WOGCICMZPSNKGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14944901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.62

Polar Surface Area

63.072

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F222-0467 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F222-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F222-0467?
Check Price and Availability of F222-0467, 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 F222-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F222-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F222-0467
  • 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 F222-0467 available by request