D011-4622 Screening compound: 1-[4-(4-methylphenoxy)butyl]-1H-1,3-benzodiazole

D011-4622 Screening compound: 1-[4-(4-methylphenoxy)butyl]-1H-1,3-benzodiazole
D011-4622 Screening compound: 1-[4-(4-methylphenoxy)butyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4622
1-[4-(4-methylphenoxy)butyl]-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

D011-4622

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

1-[4-(4-methylphenoxy)butyl]-1H-1,3-benzodiazole

IUPAC name

1-[4-(4-methylphenoxy)butyl]-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCCCCn1c(cccc2)c2nc1

InChI

InChI=1S/C18H20N2O/c1-15-8-10-16(11-9-15)21-13-5-4-12-20-14-19-17-6-2-3-7-18(17)20/h2-3,6-11,14H,4-5,12-13H2,1H3

InChI Key

OSVBLWOIRUSIFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04342602

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.01

Polar Surface Area

17.819

Acid Dissociation Constant (pKa)

24.56

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-4622 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D011-4622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4622?
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What is the minimum amount of D011-4622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4622
  • 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 D011-4622 available by request