D011-5412 Screening compound: 2-(methoxymethyl)-1-[4-(3-methylphenoxy)butyl]-1H-1,3-benzodiazole

D011-5412 Screening compound: 2-(methoxymethyl)-1-[4-(3-methylphenoxy)butyl]-1H-1,3-benzodiazole
D011-5412 Screening compound: 2-(methoxymethyl)-1-[4-(3-methylphenoxy)butyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5412
2-(methoxymethyl)-1-[4-(3-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

D011-5412

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

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

IUPAC name

2-(methoxymethyl)-1-[4-(3-methylphenoxy)butyl]-1H-13-benzodiazole

SMILES

Cc1cccc(OCCCCn2c(cccc3)c3nc2COC)c1

InChI

InChI=1S/C20H24N2O2/c1-16-8-7-9-17(14-16)24-13-6-5-12-22-19-11-4-3-10-18(19)21-20(22)15-23-2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3

InChI Key

GEOIHUCBHAGRJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644311

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.37

Polar Surface Area

26.963

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D011-5412 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-5412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5412?
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What is the minimum amount of D011-5412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5412
  • 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 D011-5412 available by request