8016-9712 Screening compound: [2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

8016-9712 Screening compound: [2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
8016-9712 Screening compound: [2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9712
[2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-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

8016-9712

Molecular Formula

C11H11Cl2NO3 (C11 H11 Cl2 NO3)

Compound Name

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

IUPAC name

[2-(24-dichlorophenyl)-4-(hydroxymethyl)-45-dihydro-13-oxazol-4-yl]methanol

SMILES

OCC1(CO)N=C(c(ccc(Cl)c2)c2Cl)OC1

InChI

InChI=1S/C11H11Cl2NO3/c12-7-1-2-8(9(13)3-7)10-14-11(4-15,5-16)6-17-10/h1-3,15-16H,4-6H2

InChI Key

RBEOUQDWLMMHGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.759

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-2.87

Polar Surface Area

53.559

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8016-9712 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-9712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9712?
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What is the minimum amount of 8016-9712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9712
  • 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 8016-9712 available by request