3643-3589 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

3643-3589 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
3643-3589 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3589
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]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

3643-3589

Molecular Formula

C26H27N3O2 (C26 H27 N3 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

SMILES

CC(C)(c1ccccc1)c(cc1)ccc1OCC(NCCc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C26H27N3O2/c1-26(2,19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-18-25(30)27-17-16-24-28-22-10-6-7-11-23(22)29-24/h3-15H,16-18H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

IBEIULSMPKIUCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.28

Polar Surface Area

51.789

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3643-3589 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3643-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3589?
Check Price and Availability of 3643-3589, 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 3643-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3589
  • 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 3643-3589 available by request