D277-0401 Screening compound: 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazole

D277-0401 Screening compound: 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazole
D277-0401 Screening compound: 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0401
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazole

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

D277-0401

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

1-[2-(24-dimethylphenoxy)ethyl]-2-[(morpholin-4-yl)methyl]-1H-13-benzodiazole

SMILES

Cc(cc1)cc(C)c1OCCn1c(cccc2)c2nc1CN1CCOCC1

InChI

InChI=1S/C22H27N3O2/c1-17-7-8-21(18(2)15-17)27-14-11-25-20-6-4-3-5-19(20)23-22(25)16-24-9-12-26-13-10-24/h3-8,15H,9-14,16H2,1-2H3

InChI Key

MNKVNMWNUWAVLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.33

Polar Surface Area

30.267

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D277-0401 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 D277-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0401?
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What is the minimum amount of D277-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0401
  • 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 D277-0401 available by request