8005-5599 Screening compound: 1-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]formamide

8005-5599 Screening compound: 1-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]formamide
8005-5599 Screening compound: 1-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5599
1-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]formamide

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

8005-5599

Molecular Formula

C17H12F4N4O6 (C17 H12 F4 N4 O6)

Compound Name

1-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]formamide

IUPAC name

1-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-[2-(1122-tetrafluoroethoxy)phenyl]formamide

SMILES

[O-][N+](c(cc1)cc(/C=N/NC(C(Nc(cccc2)c2OC(C(F)F)(F)F)=O)=O)c1O)=O

InChI

InChI=1S/C17H12F4N4O6/c18-16(19)17(20,21)31-13-4-2-1-3-11(13)23-14(27)15(28)24-22-8-9-7-10(25(29)30)5-6-12(9)26/h1-8,16,26H,(H,23,27)(H,24,28)

InChI Key

NTXYJHICDRZASU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

-0.066

Water Solubility, LogSw

-3.60

Polar Surface Area

114.257

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8005-5599 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-5599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5599?
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What is the minimum amount of 8005-5599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5599
  • 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 8005-5599 available by request