Y080-0082 Screening compound: 1-[4-(3-methoxyphenoxy)butyl]-1H-1,3-benzodiazole

Y080-0082 Screening compound: 1-[4-(3-methoxyphenoxy)butyl]-1H-1,3-benzodiazole
Y080-0082 Screening compound: 1-[4-(3-methoxyphenoxy)butyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0082
1-[4-(3-methoxyphenoxy)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

Y080-0082

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

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

IUPAC name

1-[4-(3-methoxyphenoxy)butyl]-1H-13-benzodiazole

SMILES

COc1cccc(OCCCCn2c(cccc3)c3nc2)c1

InChI

InChI=1S/C18H20N2O2/c1-21-15-7-6-8-16(13-15)22-12-5-4-11-20-14-19-17-9-2-3-10-18(17)20/h2-3,6-10,13-14H,4-5,11-12H2,1H3

InChI Key

PFDBBGBPMKRZCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09870446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.61

Polar Surface Area

25.363

Acid Dissociation Constant (pKa)

24.56

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y080-0082 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y080-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0082?
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What is the minimum amount of Y080-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0082
  • 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 Y080-0082 available by request