R052-2668 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid

R052-2668 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
R052-2668 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2668
4-(3,5-dimethyl-4-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

R052-2668

Molecular Formula

C9H13N3O4 (C9 H13 N3 O4)

Compound Name

4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid

IUPAC name

4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid

SMILES

Cc(n(CCCC(O)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)

InChI Key

OKRDHPPYUAMLIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03410243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.22

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

-0.155

Distribution Coefficient, logD

-2.874

Water Solubility, LogSw

-0.22

Polar Surface Area

75.934

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

R052-2668 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with R052-2668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2668?
Check Price and Availability of R052-2668, 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 R052-2668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2668
  • 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 R052-2668 available by request