8017-0463 Screening compound: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-(2-furylmethyl)-1,2,4-oxadiazole-5-carboxamide

8017-0463 Screening compound: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-(2-furylmethyl)-1,2,4-oxadiazole-5-carboxamide
8017-0463 Screening compound: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-(2-furylmethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0463
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-(2-furylmethyl)-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

8017-0463

Molecular Formula

C14H14BrN5O3 (C14 H14 BrN5 O3)

Compound Name

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

IUPAC name

3-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

Cc(n(Cc1noc(C(NCc2ccco2)=O)n1)nc1C)c1Br

InChI

InChI=1S/C14H14BrN5O3/c1-8-12(15)9(2)20(18-8)7-11-17-14(23-19-11)13(21)16-6-10-4-3-5-22-10/h3-5H,6-7H2,1-2H3,(H,16,21)

InChI Key

DCQADAWYMKYVLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.702

Water Solubility, LogSw

-2.09

Polar Surface Area

79.622

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8017-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0463?
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What is the minimum amount of 8017-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0463
  • 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 8017-0463 available by request