1762-0076 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylacetamide

1762-0076 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylacetamide
1762-0076 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0076
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylacetamide

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

1762-0076

Molecular Formula

C12H17BrN4O3 (C12 H17 BrN4 O3)

Compound Name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylacetamide

IUPAC name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexylacetamide

SMILES

Cc(n(CC(NC1CCCCC1)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C12H17BrN4O3/c1-8-11(13)12(17(19)20)15-16(8)7-10(18)14-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,18)

InChI Key

YUTJCKWTVMQUJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00299021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.16

Polar Surface Area

71.455

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

1762-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1762-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0076?
Check Price and Availability of 1762-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1762-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0076
  • 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 1762-0076 available by request