2391-2474 Screening compound: 3-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

2391-2474 Screening compound: 3-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
2391-2474 Screening compound: 3-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2391-2474
3-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

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

2391-2474

Molecular Formula

C20H16BrFN4O3 (C20 H16 BrFN4 O3)

Compound Name

3-[(E)-{[2-(4-fluorophenyl)acetamido]imino}methyl]phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

IUPAC name

n/a

SMILES

Cn1nc(C(Oc2cc(/C=N/NC(Cc(cc3)ccc3F)=O)ccc2)=O)c(Br)c1

InChI

InChI=1S/C20H16BrFN4O3/c1-26-12-17(21)19(25-26)20(28)29-16-4-2-3-14(9-16)11-23-24-18(27)10-13-5-7-15(22)8-6-13/h2-9,11-12H,10H2,1H3,(H,24,27)

InChI Key

NWRZVJMNTFDFQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.24

Polar Surface Area

71.074

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2391-2474 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2391-2474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2391-2474?
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What is the minimum amount of 2391-2474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2391-2474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2391-2474
  • 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 2391-2474 available by request