1805-1354 Screening compound: N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridine-4-carboxamide

1805-1354 Screening compound: N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridine-4-carboxamide
1805-1354 Screening compound: N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1354
N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridine-4-carboxamide

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

1805-1354

Molecular Formula

C13H11N5O4S (C13 H11 N5 O4 S)

Compound Name

N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridine-4-carboxamide

IUPAC name

N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridine-4-carboxamide

SMILES

[O-][N+](c1ccc(/C=N/NC(CNC(c2ccncc2)=O)=O)s1)=O

InChI

InChI=1S/C13H11N5O4S/c19-11(8-15-13(20)9-3-5-14-6-4-9)17-16-7-10-1-2-12(23-10)18(21)22/h1-7H,8H2,(H,15,20)(H,17,19)

InChI Key

ZOTLQNOBXNCNOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00637814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.381

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-1.95

Polar Surface Area

104.205

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1805-1354 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1805-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1805-1354?
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What is the minimum amount of 1805-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1354
  • 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 1805-1354 available by request