8017-7770 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole

8017-7770 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole
8017-7770 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7770
3-(1,3-benzodioxol-5-yl)-5-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole

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

8017-7770

Molecular Formula

C15H13N5O5 (C15 H13 N5 O5)

Compound Name

3-(1,3-benzodioxol-5-yl)-5-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[3-(3-nitro-1H-pyrazol-1-yl)propyl]-124-oxadiazole

SMILES

[O-][N+](c1nn(CCCc2nc(-c(cc3)cc4c3OCO4)no2)cc1)=O

InChI

InChI=1S/C15H13N5O5/c21-20(22)13-5-7-19(17-13)6-1-2-14-16-15(18-25-14)10-3-4-11-12(8-10)24-9-23-11/h3-5,7-8H,1-2,6,9H2

InChI Key

NIWXJIXBNYOLLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

2.220

Water Solubility, LogSw

-2.52

Polar Surface Area

95.909

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8017-7770 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-7770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7770?
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What is the minimum amount of 8017-7770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7770
  • 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 8017-7770 available by request