D073-0158 Screening compound: N-[2-(2-acetamidoethyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

D073-0158 Screening compound: N-[2-(2-acetamidoethyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
D073-0158 Screening compound: N-[2-(2-acetamidoethyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0158
N-[2-(2-acetamidoethyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-2-[5-methyl-2-(propan-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

D073-0158

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

N-[2-(2-acetamidoethyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-[2-(2-acetamidoethyl)-1-methyl-1H-13-benzodiazol-5-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc(cc1)cc2c1n(C)c(CCNC(C)=O)n2)=O

InChI

InChI=1S/C24H30N4O3/c1-15(2)19-8-6-16(3)12-22(19)31-14-24(30)26-18-7-9-21-20(13-18)27-23(28(21)5)10-11-25-17(4)29/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,25,29)(H,26,30)

InChI Key

JLEWRXNLXSUDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-3.66

Polar Surface Area

67.114

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D073-0158 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D073-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0158?
Check Price and Availability of D073-0158, 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 D073-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0158
  • 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 D073-0158 available by request