Y080-1053 Screening compound: N-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide

Y080-1053 Screening compound: N-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide
Y080-1053 Screening compound: N-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1053
N-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide

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

Y080-1053

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

N-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide

IUPAC name

N-({1-[2-(26-dimethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}methyl)-N-methylacetamide

SMILES

CC(N(C)Cc1nc(cccc2)c2n1CCOc1c(C)cccc1C)=O

InChI

InChI=1S/C21H25N3O2/c1-15-8-7-9-16(2)21(15)26-13-12-24-19-11-6-5-10-18(19)22-20(24)14-23(4)17(3)25/h5-11H,12-14H2,1-4H3

InChI Key

UJXWNRXXQRLCOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10548669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-3.96

Polar Surface Area

35.603

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y080-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1053?
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What is the minimum amount of Y080-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1053
  • 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 Y080-1053 available by request