8007-1902 Screening compound: 3-fluoro-N'-[(Z)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

8007-1902 Screening compound: 3-fluoro-N'-[(Z)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide
8007-1902 Screening compound: 3-fluoro-N'-[(Z)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1902
3-fluoro-N'-[(Z)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

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

8007-1902

Molecular Formula

C18H14FN5O3S (C18 H14 FN5 O3 S)

Compound Name

3-fluoro-N'-[(Z)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

IUPAC name

3-fluoro-N'-[(Z)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

SMILES

Cn1c(Sc(ccc(/C=N\NC(c2cc(F)ccc2)=O)c2)c2[N+]([O-])=O)ncc1

InChI

InChI=1S/C18H14FN5O3S/c1-23-8-7-20-18(23)28-16-6-5-12(9-15(16)24(26)27)11-21-22-17(25)13-3-2-4-14(19)10-13/h2-11H,1H3,(H,22,25)

InChI Key

XQEDXPRIFQVGQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-4.11

Polar Surface Area

81.282

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8007-1902 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 8007-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1902?
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What is the minimum amount of 8007-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1902
  • 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 8007-1902 available by request