D011-5451 Screening compound: 3-(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol

D011-5451 Screening compound: 3-(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol
D011-5451 Screening compound: 3-(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5451
3-(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)propan-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

D011-5451

Molecular Formula

C24H32N2O2 (C24 H32 N2 O2)

Compound Name

3-(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol

IUPAC name

3-(1-{4-[5-methyl-2-(propan-2-yl)phenoxy]butyl}-1H-13-benzodiazol-2-yl)propan-1-ol

SMILES

CC(C)c(ccc(C)c1)c1OCCCCn1c(cccc2)c2nc1CCCO

InChI

InChI=1S/C24H32N2O2/c1-18(2)20-13-12-19(3)17-23(20)28-16-7-6-14-26-22-10-5-4-9-21(22)25-24(26)11-8-15-27/h4-5,9-10,12-13,17-18,27H,6-8,11,14-16H2,1-3H3

InChI Key

QJLWFJNUNRLZHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06643521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.375

Water Solubility, LogSw

-5.29

Polar Surface Area

35.282

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with D011-5451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5451?
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What is the minimum amount of D011-5451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5451
  • 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 D011-5451 available by request