L947-0190 Screening compound: 4-[5-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)benzamide

L947-0190 Screening compound: 4-[5-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)benzamide
L947-0190 Screening compound: 4-[5-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L947-0190
4-[5-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)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

L947-0190

Molecular Formula

C28H26N4O3 (C28 H26 N4 O3)

Compound Name

4-[5-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)benzamide

IUPAC name

4-[5-(1-benzoylpiperidin-3-yl)-124-oxadiazol-3-yl]-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1NC(c(cc1)ccc1-c1noc(C(CCC2)CN2C(c2ccccc2)=O)n1)=O

InChI

InChI=1S/C28H26N4O3/c1-19-9-15-24(16-10-19)29-26(33)21-13-11-20(12-14-21)25-30-27(35-31-25)23-8-5-17-32(18-23)28(34)22-6-3-2-4-7-22/h2-4,6-7,9-16,23H,5,8,17-18H2,1H3,(H,29,33)/t23-/m0/s1

InChI Key

WNRNDEXRPXMMSJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27488976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.27

Polar Surface Area

71.317

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

L947-0190 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 L947-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L947-0190?
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What is the minimum amount of L947-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L947-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L947-0190
  • 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 L947-0190 available by request