8603-0249 Screening compound: 2-(4,4-dimethyl-3,5-dioxotetrahydro-1H-pyrazol-1-yl)benzoic acid

8603-0249 Screening compound: 2-(4,4-dimethyl-3,5-dioxotetrahydro-1H-pyrazol-1-yl)benzoic acid
8603-0249 Screening compound: 2-(4,4-dimethyl-3,5-dioxotetrahydro-1H-pyrazol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8603-0249
2-(4,4-dimethyl-3,5-dioxotetrahydro-1H-pyrazol-1-yl)benzoic 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

8603-0249

Molecular Formula

C12H12N2O4 (C12 H12 N2 O4)

Compound Name

2-(4,4-dimethyl-3,5-dioxotetrahydro-1H-pyrazol-1-yl)benzoic acid

IUPAC name

n/a

SMILES

CC(C)(C(NN1c(cccc2)c2C(O)=O)=O)C1=O

InChI

InChI=1S/C12H12N2O4/c1-12(2)10(17)13-14(11(12)18)8-6-4-3-5-7(8)9(15)16/h3-6H,1-2H3,(H,13,17)(H,15,16)

InChI Key

AZOUXCGASWBNCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.072

Distribution Coefficient, logD

-2.836

Water Solubility, LogSw

-2.08

Polar Surface Area

71.139

Acid Dissociation Constant (pKa)

3.49

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8603-0249 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8603-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8603-0249?
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What is the minimum amount of 8603-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8603-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8603-0249
  • 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 8603-0249 available by request