3552-0143 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide

3552-0143 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide
3552-0143 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3552-0143
N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide

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

3552-0143

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc1cc(-c2nc(cccc3)c3[nH]2)ccc1)=O

InChI

InChI=1S/C25H25N3O2/c1-25(2,3)18-11-13-20(14-12-18)30-16-23(29)26-19-8-6-7-17(15-19)24-27-21-9-4-5-10-22(21)28-24/h4-15H,16H2,1-3H3,(H,26,29)(H,27,28)

InChI Key

PUTMVWPNMUAYLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02031655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.522

Distribution Coefficient, logD

6.521

Water Solubility, LogSw

-5.74

Polar Surface Area

49.635

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3552-0143 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3552-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3552-0143?
Check Price and Availability of 3552-0143, 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 3552-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3552-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3552-0143
  • 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 3552-0143 available by request