3466-0195 Screening compound: 4-(4-bromophenoxy)-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}butanamide

3466-0195 Screening compound: 4-(4-bromophenoxy)-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}butanamide
3466-0195 Screening compound: 4-(4-bromophenoxy)-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3466-0195
4-(4-bromophenoxy)-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-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

3466-0195

Molecular Formula

C21H21BrN2O2S (C21 H21 BrN2 O2 S)

Compound Name

4-(4-bromophenoxy)-N-{5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl}butanamide

IUPAC name

4-(4-bromophenoxy)-N-{5-[(3-methylphenyl)methyl]-13-thiazol-2-yl}butanamide

SMILES

Cc1cccc(Cc2cnc(NC(CCCOc(cc3)ccc3Br)=O)s2)c1

InChI

InChI=1S/C21H21BrN2O2S/c1-15-4-2-5-16(12-15)13-19-14-23-21(27-19)24-20(25)6-3-11-26-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,14H,3,6,11,13H2,1H3,(H,23,24,25)

InChI Key

XEJPWHXGGIQBKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02355713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

6.162

Water Solubility, LogSw

-5.16

Polar Surface Area

40.830

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3466-0195 in Drug Discovery

Included in Screening Libraries

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 3466-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3466-0195?
Check Price and Availability of 3466-0195, 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 3466-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3466-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3466-0195
  • 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 3466-0195 available by request