8014-8931 Screening compound: 1-benzyl-4-nitro-1H-pyrazole-3,5-diamine

8014-8931 Screening compound: 1-benzyl-4-nitro-1H-pyrazole-3,5-diamine
8014-8931 Screening compound: 1-benzyl-4-nitro-1H-pyrazole-3,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8931
1-benzyl-4-nitro-1H-pyrazole-3,5-diamine

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

8014-8931

Molecular Formula

C10H11N5O2 (C10 H11 N5 O2)

Compound Name

1-benzyl-4-nitro-1H-pyrazole-3,5-diamine

IUPAC name

1-benzyl-4-nitro-1H-pyrazole-35-diamine

SMILES

Nc(n(Cc1ccccc1)nc1N)c1[N+]([O-])=O

InChI

InChI=1S/C10H11N5O2/c11-9-8(15(16)17)10(12)14(13-9)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,13)

InChI Key

JAPCXJOEFIJPBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.782

Distribution Coefficient, logD

0.782

Water Solubility, LogSw

-1.52

Polar Surface Area

86.671

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8014-8931 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 8014-8931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8931?
Check Price and Availability of 8014-8931, 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 8014-8931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8931
  • 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 8014-8931 available by request