Y080-1667 Screening compound: {5-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl methyl ether

Y080-1667 Screening compound: {5-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl methyl ether
Y080-1667 Screening compound: {5-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1667
{5-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl methyl ether

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

Y080-1667

Molecular Formula

C13H14N4O2 (C13 H14 N4 O2)

Compound Name

{5-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl methyl ether

IUPAC name

1-{2-[3-(methoxymethyl)-124-oxadiazol-5-yl]ethyl}-1H-13-benzodiazole

SMILES

COCc1noc(CCn2c(cccc3)c3nc2)n1

InChI

InChI=1S/C13H14N4O2/c1-18-8-12-15-13(19-16-12)6-7-17-9-14-10-4-2-3-5-11(10)17/h2-5,9H,6-8H2,1H3

InChI Key

NJWRFCVBKXHHOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31751562

Chemical and Physical Properties

Saltdata

HOOCCH(OH)CH(OH)COOH

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.385

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-1.58

Polar Surface Area

51.431

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

Y080-1667 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y080-1667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1667?
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What is the minimum amount of Y080-1667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1667
  • 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 Y080-1667 available by request