Y080-0013 Screening compound: {1-[3-(2,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol

Y080-0013 Screening compound: {1-[3-(2,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol
Y080-0013 Screening compound: {1-[3-(2,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0013
{1-[3-(2,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol

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

Y080-0013

Molecular Formula

C19H22N2O2 (C19 H22 N2 O2)

Compound Name

{1-[3-(2,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol

IUPAC name

{1-[3-(25-dimethylphenoxy)propyl]-1H-13-benzodiazol-2-yl}methanol

SMILES

Cc1cc(OCCCn2c(cccc3)c3nc2CO)c(C)cc1

InChI

InChI=1S/C19H22N2O2/c1-14-8-9-15(2)18(12-14)23-11-5-10-21-17-7-4-3-6-16(17)20-19(21)13-22/h3-4,6-9,12,22H,5,10-11,13H2,1-2H3

InChI Key

XHQRSTMNBCSWKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.21

Polar Surface Area

35.741

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

Y080-0013 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 Y080-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0013?
Check Price and Availability of Y080-0013, 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 Y080-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0013
  • 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 Y080-0013 available by request