8002-6725 Screening compound: N'-[(E)-(4-nitrothiophen-2-yl)methylidene]-2,2-diphenoxyacetohydrazide

8002-6725 Screening compound: N'-[(E)-(4-nitrothiophen-2-yl)methylidene]-2,2-diphenoxyacetohydrazide
8002-6725 Screening compound: N'-[(E)-(4-nitrothiophen-2-yl)methylidene]-2,2-diphenoxyacetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6725
N'-[(E)-(4-nitrothiophen-2-yl)methylidene]-2,2-diphenoxyacetohydrazide

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

8002-6725

Molecular Formula

C19H15N3O5S (C19 H15 N3 O5 S)

Compound Name

N'-[(E)-(4-nitrothiophen-2-yl)methylidene]-2,2-diphenoxyacetohydrazide

IUPAC name

N'-[(E)-(4-nitrothiophen-2-yl)methylidene]-22-diphenoxyacetohydrazide

SMILES

[O-][N+](c1csc(/C=N/NC(C(Oc2ccccc2)Oc2ccccc2)=O)c1)=O

InChI

InChI=1S/C19H15N3O5S/c23-18(21-20-12-17-11-14(13-28-17)22(24)25)19(26-15-7-3-1-4-8-15)27-16-9-5-2-6-10-16/h1-13,19H,(H,21,23)

InChI Key

CPDCFUNOZOBWGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.46

Polar Surface Area

84.335

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8002-6725 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 8002-6725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6725?
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What is the minimum amount of 8002-6725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6725
  • 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 8002-6725 available by request