D125-0948 Screening compound: 1-(2-ethoxyethyl)-2-[(3-methoxyphenoxy)methyl]-1H-1,3-benzodiazole

D125-0948 Screening compound: 1-(2-ethoxyethyl)-2-[(3-methoxyphenoxy)methyl]-1H-1,3-benzodiazole
D125-0948 Screening compound: 1-(2-ethoxyethyl)-2-[(3-methoxyphenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-0948
1-(2-ethoxyethyl)-2-[(3-methoxyphenoxy)methyl]-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

D125-0948

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

1-(2-ethoxyethyl)-2-[(3-methoxyphenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

1-(2-ethoxyethyl)-2-[(3-methoxyphenoxy)methyl]-1H-13-benzodiazole

SMILES

CCOCCn1c(cccc2)c2nc1COc1cc(OC)ccc1

InChI

InChI=1S/C19H22N2O3/c1-3-23-12-11-21-18-10-5-4-9-17(18)20-19(21)14-24-16-8-6-7-15(13-16)22-2/h4-10,13H,3,11-12,14H2,1-2H3

InChI Key

QSHOTEFAOXGXQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13852831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-4.02

Polar Surface Area

34.142

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D125-0948 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D125-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-0948?
Check Price and Availability of D125-0948, 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 D125-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-0948
  • 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 D125-0948 available by request