8017-2063 Screening compound: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-ethyl-1,2,4-oxadiazole-5-carboxamide

8017-2063 Screening compound: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-ethyl-1,2,4-oxadiazole-5-carboxamide
8017-2063 Screening compound: 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-ethyl-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2063
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N~5~-ethyl-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

8017-2063

Molecular Formula

C11H14BrN5O2 (C11 H14 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCNC(c1nc(Cn2nc(C)c(Br)c2C)no1)=O

InChI

InChI=1S/C11H14BrN5O2/c1-4-13-10(18)11-14-8(16-19-11)5-17-7(3)9(12)6(2)15-17/h4-5H2,1-3H3,(H,13,18)

InChI Key

BLSNZHQNPZUUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.591

Distribution Coefficient, logD

0.591

Water Solubility, LogSw

-0.85

Polar Surface Area

71.770

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with 8017-2063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2063?
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What is the minimum amount of 8017-2063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2063
  • 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 8017-2063 available by request