8016-6593 Screening compound: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)-1-ethanone

8016-6593 Screening compound: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)-1-ethanone
8016-6593 Screening compound: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6593
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)-1-ethanone

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

8016-6593

Molecular Formula

C10H10BrN5O3 (C10 H10 BrN5 O3)

Compound Name

1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)-1-ethanone

IUPAC name

1-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc(n(C(Cn(cc1)nc1[N+]([O-])=O)=O)nc1C)c1Br

InChI

InChI=1S/C10H10BrN5O3/c1-6-10(11)7(2)15(12-6)9(17)5-14-4-3-8(13-14)16(18)19/h3-4H,5H2,1-2H3

InChI Key

ZAITUPNAOYZUID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.234

Distribution Coefficient, logD

0.234

Water Solubility, LogSw

-1.46

Polar Surface Area

74.830

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8016-6593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6593?
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What is the minimum amount of 8016-6593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6593
  • 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 8016-6593 available by request