8016-9741 Screening compound: [4-(hydroxymethyl)-2-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

8016-9741 Screening compound: [4-(hydroxymethyl)-2-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
8016-9741 Screening compound: [4-(hydroxymethyl)-2-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9741
[4-(hydroxymethyl)-2-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-4-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

8016-9741

Molecular Formula

C12H15NO4 (C12 H15 NO4)

Compound Name

[4-(hydroxymethyl)-2-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

IUPAC name

[4-(hydroxymethyl)-2-(phenoxymethyl)-45-dihydro-13-oxazol-4-yl]methanol

SMILES

OCC1(CO)N=C(COc2ccccc2)OC1

InChI

InChI=1S/C12H15NO4/c14-7-12(8-15)9-17-11(13-12)6-16-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2

InChI Key

XJCUBIFAIWMENR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

0.566

Water Solubility, LogSw

-1.01

Polar Surface Area

61.204

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8016-9741 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-9741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9741?
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What is the minimum amount of 8016-9741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9741
  • 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 8016-9741 available by request