8019-5294 Screening compound: N~5~-(2-{[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}ethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

8019-5294 Screening compound: N~5~-(2-{[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}ethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
8019-5294 Screening compound: N~5~-(2-{[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}ethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5294
N~5~-(2-{[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}ethyl)-3-cyclopropyl-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

8019-5294

Molecular Formula

C15H19BrN6O3 (C15 H19 BrN6 O3)

Compound Name

N~5~-(2-{[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}ethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

IUPAC name

2-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)-N-{2-[(3-cyclopropyl-124-oxadiazol-5-yl)formamido]ethyl}acetamide

SMILES

Cc(n(CC(NCCNC(c1nc(C2CC2)no1)=O)=O)nc1C)c1Br

InChI

InChI=1S/C15H19BrN6O3/c1-8-12(16)9(2)22(20-8)7-11(23)17-5-6-18-14(24)15-19-13(21-25-15)10-3-4-10/h10H,3-7H2,1-2H3,(H,17,23)(H,18,24)

InChI Key

YXKLEVHZWNFNLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08094218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.279

Distribution Coefficient, logD

0.279

Water Solubility, LogSw

-1.00

Polar Surface Area

95.560

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

8019-5294 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5294?
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What is the minimum amount of 8019-5294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5294
  • 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 8019-5294 available by request