4872-0671 Screening compound: 3-(dichloromethyl)-4-nitro-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole

4872-0671 Screening compound: 3-(dichloromethyl)-4-nitro-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole
4872-0671 Screening compound: 3-(dichloromethyl)-4-nitro-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0671
3-(dichloromethyl)-4-nitro-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole

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

4872-0671

Molecular Formula

C14H14Cl2N4O2 (C14 H14 Cl2 N4 O2)

Compound Name

3-(dichloromethyl)-4-nitro-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole

IUPAC name

3-(dichloromethyl)-4-nitro-1-phenyl-5-(pyrrolidin-1-yl)-1H-pyrazole

SMILES

[O-][N+](c1c(N2CCCC2)n(-c2ccccc2)nc1C(Cl)Cl)=O

InChI

InChI=1S/C14H14Cl2N4O2/c15-13(16)11-12(20(21)22)14(18-8-4-5-9-18)19(17-11)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2

InChI Key

XCUSIDOBCQZOOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.40

Polar Surface Area

50.254

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4872-0671 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4872-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0671?
Check Price and Availability of 4872-0671, 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 4872-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0671
  • 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 4872-0671 available by request