8020-4150 Screening compound: 5-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide

8020-4150 Screening compound: 5-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide
8020-4150 Screening compound: 5-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4150
5-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2-oxazole-3-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

8020-4150

Molecular Formula

C14H12N6O4 (C14 H12 N6 O4)

Compound Name

5-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[(pyridin-3-yl)methyl]-12-oxazole-3-carboxamide

SMILES

[O-][N+](c1cn(Cc2cc(C(NCc3cnccc3)=O)no2)nc1)=O

InChI

InChI=1S/C14H12N6O4/c21-14(16-6-10-2-1-3-15-5-10)13-4-12(24-18-13)9-19-8-11(7-17-19)20(22)23/h1-5,7-8H,6,9H2,(H,16,21)

InChI Key

YXYXLKLXJNXKFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.486

Distribution Coefficient, logD

0.486

Water Solubility, LogSw

-1.59

Polar Surface Area

103.034

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8020-4150 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-4150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4150?
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What is the minimum amount of 8020-4150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4150
  • 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 8020-4150 available by request