D161-2595 Screening compound: N-(2-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3-methylbenzamide

D161-2595 Screening compound: N-(2-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3-methylbenzamide
D161-2595 Screening compound: N-(2-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D161-2595
N-(2-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3-methylbenzamide

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

D161-2595

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

N-(2-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)-3-methylbenzamide

IUPAC name

N-(2-{1-[2-(4-methoxyphenoxy)ethyl]-1H-13-benzodiazol-2-yl}ethyl)-3-methylbenzamide

SMILES

Cc1cccc(C(NCCc2nc(cccc3)c3n2CCOc(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C26H27N3O3/c1-19-6-5-7-20(18-19)26(30)27-15-14-25-28-23-8-3-4-9-24(23)29(25)16-17-32-22-12-10-21(31-2)11-13-22/h3-13,18H,14-17H2,1-2H3,(H,27,30)

InChI Key

NVFLHUKQYFKXEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06422127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.50

Polar Surface Area

50.338

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D161-2595 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D161-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D161-2595?
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What is the minimum amount of D161-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D161-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D161-2595
  • 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 D161-2595 available by request