5639-0091 Screening compound: [(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2-fluorobenzoate

5639-0091 Screening compound: [(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2-fluorobenzoate
5639-0091 Screening compound: [(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0091
[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2-fluorobenzoate

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

5639-0091

Molecular Formula

C16H11FN2O3 (C16 H11 FN2 O3)

Compound Name

[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2-fluorobenzoate

IUPAC name

[(3Z)-1-methyl-2-oxo-23-dihydro-1H-indol-3-ylidene]amino 2-fluorobenzoate

SMILES

CN(c(cccc1)c1/C1=N/OC(c(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C16H11FN2O3/c1-19-13-9-5-3-7-11(13)14(15(19)20)18-22-16(21)10-6-2-4-8-12(10)17/h2-9H,1H3

InChI Key

OZKBFTNWQOERFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.878

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.38

Polar Surface Area

46.332

Acid Dissociation Constant (pKa)

29.04

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

5639-0091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Kinases Annotated Library (2415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 5639-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0091?
Check Price and Availability of 5639-0091, 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 5639-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0091
  • 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 5639-0091 available by request