6487-0172 Screening compound: 5-(3,5-dimethylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

6487-0172 Screening compound: 5-(3,5-dimethylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
6487-0172 Screening compound: 5-(3,5-dimethylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6487-0172
5-(3,5-dimethylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

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

6487-0172

Molecular Formula

C19H23N3O2 (C19 H23 N3 O2)

Compound Name

5-(3,5-dimethylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-(35-dimethylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-13-oxazole-4-carbonitrile

SMILES

CC(CC(C)C1)CN1c1c(C#N)nc(COc2ccc(C)cc2)o1

InChI

InChI=1S/C19H23N3O2/c1-13-4-6-16(7-5-13)23-12-18-21-17(9-20)19(24-18)22-10-14(2)8-15(3)11-22/h4-7,14-15H,8,10-12H2,1-3H3

InChI Key

XWWRPRWNRIQLBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04065272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.32

Polar Surface Area

46.786

Acid Dissociation Constant (pKa)

25.14

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

6487-0172 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6487-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6487-0172?
Check Price and Availability of 6487-0172, 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 6487-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6487-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6487-0172
  • 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 6487-0172 available by request