D125-1203 Screening compound: 2-[1-(3-methylphenoxy)ethyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

D125-1203 Screening compound: 2-[1-(3-methylphenoxy)ethyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
D125-1203 Screening compound: 2-[1-(3-methylphenoxy)ethyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-1203
2-[1-(3-methylphenoxy)ethyl]-1-(prop-2-yn-1-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

D125-1203

Molecular Formula

C19H18N2O (C19 H18 N2 O)

Compound Name

2-[1-(3-methylphenoxy)ethyl]-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-[1-(3-methylphenoxy)ethyl]-1-(prop-2-yn-1-yl)-1H-13-benzodiazole

SMILES

CC(c1nc(cccc2)c2n1CC#C)Oc1cc(C)ccc1

InChI

InChI=1S/C19H18N2O/c1-4-12-21-18-11-6-5-10-17(18)20-19(21)15(3)22-16-9-7-8-14(2)13-16/h1,5-11,13,15H,12H2,2-3H3/t15-/m0/s1

InChI Key

HYDSRECVZUPCRN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14812221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.71

Polar Surface Area

16.934

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

D125-1203 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D125-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-1203?
Check Price and Availability of D125-1203, 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 D125-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-1203
  • 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 D125-1203 available by request