8009-8395 Screening compound: ethyl (2Z,3E)-3-{[(2,6-difluorophenyl)formamido]imino}-2-(N-hydroxyimino)butanoate

8009-8395 Screening compound: ethyl (2Z,3E)-3-{[(2,6-difluorophenyl)formamido]imino}-2-(N-hydroxyimino)butanoate
8009-8395 Screening compound: ethyl (2Z,3E)-3-{[(2,6-difluorophenyl)formamido]imino}-2-(N-hydroxyimino)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8395
ethyl (2Z,3E)-3-{[(2,6-difluorophenyl)formamido]imino}-2-(N-hydroxyimino)butanoate

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

8009-8395

Molecular Formula

C13H13F2N3O4 (C13 H13 F2 N3 O4)

Compound Name

ethyl (2Z,3E)-3-{[(2,6-difluorophenyl)formamido]imino}-2-(N-hydroxyimino)butanoate

IUPAC name

ethyl (2Z3E)-3-{[(26-difluorophenyl)formamido]imino}-2-(N-hydroxyimino)butanoate

SMILES

CCOC(/C(/C(/C)=N/NC(c(c(F)ccc1)c1F)=O)=N\O)=O

InChI

InChI=1S/C13H13F2N3O4/c1-3-22-13(20)11(18-21)7(2)16-17-12(19)10-8(14)5-4-6-9(10)15/h4-6,21H,3H2,1-2H3,(H,17,19)

InChI Key

MFLXZWMOOJFDAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.570

Distribution Coefficient, logD

-1.319

Water Solubility, LogSw

-2.04

Polar Surface Area

85.291

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8009-8395 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 8009-8395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8395?
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What is the minimum amount of 8009-8395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8395
  • 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 8009-8395 available by request