4133-0545 Screening compound: 2-cyclopropyl-N'-[(E)-(2-fluorophenyl)methylidene]quinoline-4-carbohydrazide

4133-0545 Screening compound: 2-cyclopropyl-N'-[(E)-(2-fluorophenyl)methylidene]quinoline-4-carbohydrazide
4133-0545 Screening compound: 2-cyclopropyl-N'-[(E)-(2-fluorophenyl)methylidene]quinoline-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4133-0545
2-cyclopropyl-N'-[(E)-(2-fluorophenyl)methylidene]quinoline-4-carbohydrazide

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

4133-0545

Molecular Formula

C20H16FN3O (C20 H16 FN3 O)

Compound Name

2-cyclopropyl-N'-[(E)-(2-fluorophenyl)methylidene]quinoline-4-carbohydrazide

IUPAC name

2-cyclopropyl-N'-[(E)-(2-fluorophenyl)methylidene]quinoline-4-carbohydrazide

SMILES

O=C(c1cc(C2CC2)nc2ccccc12)N/N=C/c(cccc1)c1F

InChI

InChI=1S/C20H16FN3O/c21-17-7-3-1-5-14(17)12-22-24-20(25)16-11-19(13-9-10-13)23-18-8-4-2-6-15(16)18/h1-8,11-13H,9-10H2,(H,24,25)

InChI Key

XHDTVLXBYJLJDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01421898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.651

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.69

Polar Surface Area

44.137

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4133-0545 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4133-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4133-0545?
Check Price and Availability of 4133-0545, 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 4133-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4133-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4133-0545
  • 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 4133-0545 available by request