8017-3726 Screening compound: N~5~-cyclopropyl-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8017-3726 Screening compound: N~5~-cyclopropyl-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8017-3726 Screening compound: N~5~-cyclopropyl-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3726
N~5~-cyclopropyl-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-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

8017-3726

Molecular Formula

C10H10N6O4 (C10 H10 N6 O4)

Compound Name

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

IUPAC name

N-cyclopropyl-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

[O-][N+](c1nn(Cc2noc(C(NC3CC3)=O)n2)cc1)=O

InChI

InChI=1S/C10H10N6O4/c17-9(11-6-1-2-6)10-12-7(14-20-10)5-15-4-3-8(13-15)16(18)19/h3-4,6H,1-2,5H2,(H,11,17)

InChI Key

KXAQFUUAATTYHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.325

Distribution Coefficient, logD

-0.325

Water Solubility, LogSw

-1.93

Polar Surface Area

104.881

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8017-3726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3726?
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What is the minimum amount of 8017-3726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3726
  • 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 8017-3726 available by request