F222-0562 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-acetamido-1,3-benzothiazol-6-yl)propanamide

F222-0562 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-acetamido-1,3-benzothiazol-6-yl)propanamide
F222-0562 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-acetamido-1,3-benzothiazol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F222-0562
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-acetamido-1,3-benzothiazol-6-yl)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

F222-0562

Molecular Formula

C20H20BrN3O3S (C20 H20 BrN3 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-acetamido-1,3-benzothiazol-6-yl)propanamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-acetamido-13-benzothiazol-6-yl)propanamide

SMILES

CC(Nc1nc(ccc(CCC(NCc(cc(cc2)Br)c2OC)=O)c2)c2s1)=O

InChI

InChI=1S/C20H20BrN3O3S/c1-12(25)23-20-24-16-6-3-13(9-18(16)28-20)4-8-19(26)22-11-14-10-15(21)5-7-17(14)27-2/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,22,26)(H,23,24,25)

InChI Key

YJMMNVNOQUXBJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14944923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.37

Polar Surface Area

65.092

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F222-0562 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F222-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F222-0562?
Check Price and Availability of F222-0562, 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 F222-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F222-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F222-0562
  • 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 F222-0562 available by request