2149-0085 Screening compound: N'-[(E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-fluorobenzohydrazide

2149-0085 Screening compound: N'-[(E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-fluorobenzohydrazide
2149-0085 Screening compound: N'-[(E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-fluorobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2149-0085
N'-[(E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-fluorobenzohydrazide

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

2149-0085

Molecular Formula

C20H18FN3O (C20 H18 FN3 O)

Compound Name

N'-[(E)-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-fluorobenzohydrazide

IUPAC name

N'-[(E)-(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-fluorobenzohydrazide

SMILES

Cc1cc(/C=N/NC(c2cccc(F)c2)=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C20H18FN3O/c1-14-11-17(15(2)24(14)19-9-4-3-5-10-19)13-22-23-20(25)16-7-6-8-18(21)12-16/h3-13H,1-2H3,(H,23,25)

InChI Key

WXCOJRXKZHRIGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.28

Polar Surface Area

38.219

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2149-0085 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2149-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2149-0085?
Check Price and Availability of 2149-0085, 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 2149-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2149-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2149-0085
  • 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 2149-0085 available by request