8017-5433 Screening compound: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-phenethyl-1,2,4-oxadiazole-5-carboxamide

8017-5433 Screening compound: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-phenethyl-1,2,4-oxadiazole-5-carboxamide
8017-5433 Screening compound: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-phenethyl-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5433
3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-phenethyl-1,2,4-oxadiazole-5-carboxamide

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

8017-5433

Molecular Formula

C15H14BrN5O2 (C15 H14 BrN5 O2)

Compound Name

3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-phenethyl-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-phenylethyl)-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(Cn2ncc(Br)c2)no1)NCCc1ccccc1

InChI

InChI=1S/C15H14BrN5O2/c16-12-8-18-21(9-12)10-13-19-15(23-20-13)14(22)17-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,17,22)

InChI Key

IFPDMKHKABOBKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.695

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-1.96

Polar Surface Area

71.938

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8017-5433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5433?
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What is the minimum amount of 8017-5433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5433
  • 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 8017-5433 available by request