SC18-0301 Screening compound: N~1~-{[3-(1-acetyl-4-piperidyl)-1,2,4-oxadiazol-5-yl]methyl}-2-bromo-5-methoxybenzamide

SC18-0301 Screening compound: N~1~-{[3-(1-acetyl-4-piperidyl)-1,2,4-oxadiazol-5-yl]methyl}-2-bromo-5-methoxybenzamide
SC18-0301 Screening compound: N~1~-{[3-(1-acetyl-4-piperidyl)-1,2,4-oxadiazol-5-yl]methyl}-2-bromo-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC18-0301
N~1~-{[3-(1-acetyl-4-piperidyl)-1,2,4-oxadiazol-5-yl]methyl}-2-bromo-5-methoxybenzamide

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

SC18-0301

Molecular Formula

C18H21BrN4O4 (C18 H21 BrN4 O4)

Compound Name

N~1~-{[3-(1-acetyl-4-piperidyl)-1,2,4-oxadiazol-5-yl]methyl}-2-bromo-5-methoxybenzamide

IUPAC name

N-{[3-(1-acetylpiperidin-4-yl)-124-oxadiazol-5-yl]methyl}-2-bromo-5-methoxybenzamide

SMILES

CC(N(CC1)CCC1c1noc(CNC(c(cc(cc2)OC)c2Br)=O)n1)=O

InChI

InChI=1S/C18H21BrN4O4/c1-11(24)23-7-5-12(6-8-23)17-21-16(27-22-17)10-20-18(25)14-9-13(26-2)3-4-15(14)19/h3-4,9,12H,5-8,10H2,1-2H3,(H,20,25)

InChI Key

ZTSXYIQRUSSPFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32257225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-2.99

Polar Surface Area

80.926

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

SC18-0301 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 SC18-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC18-0301?
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What is the minimum amount of SC18-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC18-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC18-0301
  • 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 SC18-0301 available by request