8016-7308 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide

8016-7308 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
8016-7308 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7308
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide

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

8016-7308

Molecular Formula

C16H16N6O4 (C16 H16 N6 O4)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(Cn(cc1)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C16H16N6O4/c1-11-15(16(24)21(19(11)2)12-6-4-3-5-7-12)17-14(23)10-20-9-8-13(18-20)22(25)26/h3-9H,10H2,1-2H3,(H,17,23)

InChI Key

UXYPLNJRZHPQFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.103

Distribution Coefficient, logD

-0.149

Water Solubility, LogSw

-1.63

Polar Surface Area

91.003

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8016-7308 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7308?
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What is the minimum amount of 8016-7308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7308
  • 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 8016-7308 available by request