Y080-0088 Screening compound: 1-(3-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-1H-1,3-benzodiazole

Y080-0088 Screening compound: 1-(3-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-1H-1,3-benzodiazole
Y080-0088 Screening compound: 1-(3-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0088
1-(3-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-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

Y080-0088

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

1-(3-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-1H-1,3-benzodiazole

IUPAC name

1-(3-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}propyl)-1H-13-benzodiazole

SMILES

C/C=C/c(cc1)cc(OC)c1OCCCn1c(cccc2)c2nc1

InChI

InChI=1S/C20H22N2O2/c1-3-7-16-10-11-19(20(14-16)23-2)24-13-6-12-22-15-21-17-8-4-5-9-18(17)22/h3-5,7-11,14-15H,6,12-13H2,1-2H3

InChI Key

MLXYJJRTJNNISX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12961763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

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

4.284

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.31

Polar Surface Area

25.536

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y080-0088 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 Y080-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0088?
Check Price and Availability of Y080-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y080-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0088
  • 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 Y080-0088 available by request