D186-0068 Screening compound: 2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

D186-0068 Screening compound: 2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
D186-0068 Screening compound: 2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0068
2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

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

D186-0068

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-[2-(1-hydroxypropyl)-1H-13-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

SMILES

CCC(c1nc(cccc2)c2n1CC(N1CCOCC1)=O)O

InChI

InChI=1S/C16H21N3O3/c1-2-14(20)16-17-12-5-3-4-6-13(12)19(16)11-15(21)18-7-9-22-10-8-18/h3-6,14,20H,2,7-11H2,1H3/t14-/m0/s1

InChI Key

FGLFWMDIJYTUDP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08163416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.094

Distribution Coefficient, logD

1.024

Water Solubility, LogSw

-1.83

Polar Surface Area

50.620

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D186-0068 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D186-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0068?
Check Price and Availability of D186-0068, 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 D186-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0068
  • 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 D186-0068 available by request