V016-4708 Screening compound: 3-methyl-N-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}-N-propylbutanamide

V016-4708 Screening compound: 3-methyl-N-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}-N-propylbutanamide
V016-4708 Screening compound: 3-methyl-N-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}-N-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4708
3-methyl-N-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}-N-propylbutanamide

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

V016-4708

Molecular Formula

C23H33N3O2 (C23 H33 N3 O2)

Compound Name

3-methyl-N-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}-N-propylbutanamide

IUPAC name

3-methyl-N-{[3-phenyl-5-(piperidin-1-yl)-12-oxazol-4-yl]methyl}-N-propylbutanamide

SMILES

CCCN(Cc1c(N2CCCCC2)onc1-c1ccccc1)C(CC(C)C)=O

InChI

InChI=1S/C23H33N3O2/c1-4-13-26(21(27)16-18(2)3)17-20-22(19-11-7-5-8-12-19)24-28-23(20)25-14-9-6-10-15-25/h5,7-8,11-12,18H,4,6,9-10,13-17H2,1-3H3

InChI Key

AQBSXNVNLRCCQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10463775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.55

Polar Surface Area

42.470

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

V016-4708 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-4708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4708?
Check Price and Availability of V016-4708, 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 V016-4708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4708
  • 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 V016-4708 available by request