8017-5432 Screening compound: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

8017-5432 Screening compound: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
8017-5432 Screening compound: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5432
3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N~5~-[3-(1H-imidazol-1-yl)propyl]-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

8017-5432

Molecular Formula

C13H14BrN7O2 (C13 H14 BrN7 O2)

Compound Name

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

IUPAC name

3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(Cn2ncc(Br)c2)no1)NCCCn1cncc1

InChI

InChI=1S/C13H14BrN7O2/c14-10-6-17-21(7-10)8-11-18-13(23-19-11)12(22)16-2-1-4-20-5-3-15-9-20/h3,5-7,9H,1-2,4,8H2,(H,16,22)

InChI Key

XJRXESLJGATFMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017771

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.009

Distribution Coefficient, logD

-0.232

Water Solubility, LogSw

-0.75

Polar Surface Area

84.739

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8017-5432 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-5432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5432?
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What is the minimum amount of 8017-5432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5432
  • 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 8017-5432 available by request