8012-5878 Screening compound: methyl 2-[5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-amido]benzoate

8012-5878 Screening compound: methyl 2-[5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-amido]benzoate
8012-5878 Screening compound: methyl 2-[5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5878
methyl 2-[5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-amido]benzoate

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

8012-5878

Molecular Formula

C25H19FN4O4 (C25 H19 FN4 O4)

Compound Name

methyl 2-[5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-amido]benzoate

IUPAC name

methyl 2-[5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1c(NC(c(cccc2)c2F)=O)n(-c2ccccc2)nc1)=O)=O

InChI

InChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)

InChI Key

CVCLUROFBXARNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.25

Polar Surface Area

80.634

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8012-5878 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-5878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5878?
Check Price and Availability of 8012-5878, 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 8012-5878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5878
  • 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 8012-5878 available by request