8019-4451 Screening compound: 1-benzyl-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]piperidin-4-ol

8019-4451 Screening compound: 1-benzyl-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]piperidin-4-ol
8019-4451 Screening compound: 1-benzyl-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4451
1-benzyl-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]piperidin-4-ol

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

8019-4451

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

1-benzyl-4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]piperidin-4-ol

IUPAC name

1-benzyl-4-[3-(4-methoxyphenyl)-12-oxazol-5-yl]piperidin-4-ol

SMILES

COc(cc1)ccc1-c1noc(C2(CCN(Cc3ccccc3)CC2)O)c1

InChI

InChI=1S/C22H24N2O3/c1-26-19-9-7-18(8-10-19)20-15-21(27-23-20)22(25)11-13-24(14-12-22)16-17-5-3-2-4-6-17/h2-10,15,25H,11-14,16H2,1H3

InChI Key

NKZCKRUUNKADHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08273465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-4.05

Polar Surface Area

47.884

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8019-4451 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8019-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4451?
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What is the minimum amount of 8019-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4451
  • 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 8019-4451 available by request