D347-4116 Screening compound: 1-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

D347-4116 Screening compound: 1-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol
D347-4116 Screening compound: 1-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4116
1-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

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

D347-4116

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

1-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

IUPAC name

1-{1-[2-(24-dimethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}butan-1-ol

SMILES

CCCC(c1nc(cccc2)c2n1CCOc1c(C)cc(C)cc1)O

InChI

InChI=1S/C21H26N2O2/c1-4-7-19(24)21-22-17-8-5-6-9-18(17)23(21)12-13-25-20-11-10-15(2)14-16(20)3/h5-6,8-11,14,19,24H,4,7,12-13H2,1-3H3/t19-/m0/s1

InChI Key

AYJMFUCJJQHDDO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27580322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.39

Polar Surface Area

33.802

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D347-4116 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D347-4116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4116?
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What is the minimum amount of D347-4116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4116
  • 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 D347-4116 available by request