R052-2696 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid

R052-2696 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
R052-2696 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2696
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid

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

R052-2696

Molecular Formula

C8H10ClN3O4 (C8 H10 ClN3 O4)

Compound Name

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid

IUPAC name

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid

SMILES

Cc(n(CCCC(O)=O)nc1[N+]([O-])=O)c1Cl

InChI

InChI=1S/C8H10ClN3O4/c1-5-7(9)8(12(15)16)10-11(5)4-2-3-6(13)14/h2-4H2,1H3,(H,13,14)

InChI Key

UHDDZDBGJPLMET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.303

Distribution Coefficient, logD

-2.416

Water Solubility, LogSw

-1.98

Polar Surface Area

75.892

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

R052-2696 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-2696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2696?
Check Price and Availability of R052-2696, 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 R052-2696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2696
  • 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 R052-2696 available by request