D277-1492 Screening compound: N-({1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide

D277-1492 Screening compound: N-({1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide
D277-1492 Screening compound: N-({1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-1492
N-({1-[2-(4-ethylphenoxy)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

D277-1492

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OCCn1c(cccc2)c2nc1CN(C)C(C)=O

InChI

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

InChI Key

OZILYAJXPMBMIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362106

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

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-3.88

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

33.30

D277-1492 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 D277-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-1492?
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What is the minimum amount of D277-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-1492
  • 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 D277-1492 available by request