F222-1347 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide

F222-1347 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
F222-1347 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F222-1347
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-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

F222-1347

Molecular Formula

C21H22BrN3O3S (C21 H22 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22BrN3O3S/c1-3-19(26)25-21-24-16-7-4-13(10-18(16)29-21)5-9-20(27)23-12-14-11-15(22)6-8-17(14)28-2/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,23,27)(H,24,25,26)

InChI Key

WQLXQBHSWQTMSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14945107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.40

Polar Surface Area

64.979

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F222-1347 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 F222-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F222-1347?
Check Price and Availability of F222-1347, 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 F222-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F222-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F222-1347
  • 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 F222-1347 available by request