8017-5779 Screening compound: N~5~-[3-(1H-imidazol-1-yl)propyl]-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8017-5779 Screening compound: N~5~-[3-(1H-imidazol-1-yl)propyl]-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8017-5779 Screening compound: N~5~-[3-(1H-imidazol-1-yl)propyl]-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5779
N~5~-[3-(1H-imidazol-1-yl)propyl]-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

8017-5779

Molecular Formula

C13H14N8O4 (C13 H14 N8 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1nn(Cc2noc(C(NCCCn3cncc3)=O)n2)cc1)=O

InChI

InChI=1S/C13H14N8O4/c22-12(15-3-1-5-19-7-4-14-9-19)13-16-10(18-25-13)8-20-6-2-11(17-20)21(23)24/h2,4,6-7,9H,1,3,5,8H2,(H,15,22)

InChI Key

VAZBIVQVOHXYEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-1.049

Distribution Coefficient, logD

-1.291

Water Solubility, LogSw

-1.54

Polar Surface Area

117.467

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8017-5779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5779?
Check Price and Availability of 8017-5779, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-5779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5779
  • 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 8017-5779 available by request