Y080-0280 Screening compound: N-({1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide

Y080-0280 Screening compound: N-({1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide
Y080-0280 Screening compound: N-({1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0280
N-({1-[2-(4-chlorophenoxy)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

Y080-0280

Molecular Formula

C19H20ClN3O2 (C19 H20 ClN3 O2)

Compound Name

N-({1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide

IUPAC name

N-({1-[2-(4-chlorophenoxy)ethyl]-1H-13-benzodiazol-2-yl}methyl)-N-methylacetamide

SMILES

CC(N(C)Cc1nc(cccc2)c2n1CCOc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H20ClN3O2/c1-14(24)22(2)13-19-21-17-5-3-4-6-18(17)23(19)11-12-25-16-9-7-15(20)8-10-16/h3-10H,11-13H2,1-2H3

InChI Key

RHYTZSQZLWZDMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07543009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

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

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.91

Polar Surface Area

35.429

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

Y080-0280 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y080-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0280?
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What is the minimum amount of Y080-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0280
  • 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 Y080-0280 available by request