8018-8559 Screening compound: N~5~-(2-aminoethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8018-8559 Screening compound: N~5~-(2-aminoethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8018-8559 Screening compound: N~5~-(2-aminoethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8559
N~5~-(2-aminoethyl)-3-[(4-bromo-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

8018-8559

Molecular Formula

C9H11BrN6O2 (C9 H11 BrN6 O2)

Compound Name

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

IUPAC name

N-(2-aminoethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

NCCNC(c1nc(Cn2ncc(Br)c2)no1)=O

InChI

InChI=1S/C9H11BrN6O2/c10-6-3-13-16(4-6)5-7-14-9(18-15-7)8(17)12-2-1-11/h3-4H,1-2,5,11H2,(H,12,17)

InChI Key

XAEWGDIDPBOGPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08273451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.779

Distribution Coefficient, logD

-2.713

Water Solubility, LogSw

-0.63

Polar Surface Area

93.365

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8018-8559 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-8559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8559?
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What is the minimum amount of 8018-8559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8559
  • 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 8018-8559 available by request