E922-1646 Screening compound: methyl 4-[1-(3-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-amido]benzoate

E922-1646 Screening compound: methyl 4-[1-(3-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-amido]benzoate
E922-1646 Screening compound: methyl 4-[1-(3-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E922-1646
methyl 4-[1-(3-fluorophenyl)-5-(piperidin-4-yl)-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

E922-1646

Molecular Formula

C23H23FN4O3 (C23 H23 FN4 O3)

Compound Name

methyl 4-[1-(3-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-amido]benzoate

IUPAC name

methyl 4-[1-(3-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-amido]benzoate

SMILES

COC(c(cc1)ccc1NC(c1c(C2CCNCC2)n(-c2cccc(F)c2)nc1)=O)=O

InChI

InChI=1S/C23H23FN4O3/c1-31-23(30)16-5-7-18(8-6-16)27-22(29)20-14-26-28(19-4-2-3-17(24)13-19)21(20)15-9-11-25-12-10-15/h2-8,13-15,25H,9-12H2,1H3,(H,27,29)

InChI Key

JPSUFJYRQRVURD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928601

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

-0.743

Water Solubility, LogSw

-3.31

Polar Surface Area

69.479

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E922-1646 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E922-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E922-1646?
Check Price and Availability of E922-1646, 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 E922-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E922-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E922-1646
  • 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 E922-1646 available by request