8016-9906 Screening compound: 1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide

8016-9906 Screening compound: 1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
8016-9906 Screening compound: 1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9906
1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole-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

8016-9906

Molecular Formula

C11H9BrN4O3 (C11 H9 BrN4 O3)

Compound Name

1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide

IUPAC name

1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide

SMILES

NC(c1nn(Cc(cc2)ccc2Br)cc1[N+]([O-])=O)=O

InChI

InChI=1S/C11H9BrN4O3/c12-8-3-1-7(2-4-8)5-15-6-9(16(18)19)10(14-15)11(13)17/h1-4,6H,5H2,(H2,13,17)

InChI Key

ZTCQXUZQSCJVPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.09

Polar Surface Area

82.430

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8016-9906 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 8016-9906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9906?
Check Price and Availability of 8016-9906, 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 8016-9906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9906
  • 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 8016-9906 available by request