V025-5590 Screening compound: N-benzyl-4-butoxy-N-(2-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)benzamide

V025-5590 Screening compound: N-benzyl-4-butoxy-N-(2-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)benzamide
V025-5590 Screening compound: N-benzyl-4-butoxy-N-(2-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5590
N-benzyl-4-butoxy-N-(2-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)benzamide

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

V025-5590

Molecular Formula

C33H35ClN4O4 (C33 H35 ClN4 O4)

Compound Name

N-benzyl-4-butoxy-N-(2-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)benzamide

IUPAC name

N-benzyl-4-butoxy-N-(2-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)benzamide

SMILES

CCCCOc(cc1)ccc1C(N(CC(N(CCCC1)C1c1nc(-c(cc2)ccc2Cl)no1)=O)Cc1ccccc1)=O

InChI

InChI=1S/C33H35ClN4O4/c1-2-3-21-41-28-18-14-26(15-19-28)33(40)37(22-24-9-5-4-6-10-24)23-30(39)38-20-8-7-11-29(38)32-35-31(36-42-32)25-12-16-27(34)17-13-25/h4-6,9-10,12-19,29H,2-3,7-8,11,20-23H2,1H3/t29-/m0/s1

InChI Key

JULMPPTZFTUGQJ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19727963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.091

Distribution Coefficient, logD

7.091

Water Solubility, LogSw

-6.38

Polar Surface Area

71.088

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V025-5590 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V025-5590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5590?
Check Price and Availability of V025-5590, 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 V025-5590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5590
  • 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 V025-5590 available by request