D125-1489 Screening compound: 2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole

D125-1489 Screening compound: 2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole
D125-1489 Screening compound: 2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-1489
2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1-(propan-2-yl)-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

D125-1489

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(cccc2)c2nc1COc1c(CC=C)cccc1

InChI

InChI=1S/C20H22N2O/c1-4-9-16-10-5-8-13-19(16)23-14-20-21-17-11-6-7-12-18(17)22(20)15(2)3/h4-8,10-13,15H,1,9,14H2,2-3H3

InChI Key

WJROVRFLRZTLBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.76

Polar Surface Area

19.804

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D125-1489 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D125-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-1489?
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What is the minimum amount of D125-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-1489
  • 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 D125-1489 available by request