1805-1367 Screening compound: N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide

1805-1367 Screening compound: N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide
1805-1367 Screening compound: N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1367
N-({N'-[(E)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide

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

1805-1367

Molecular Formula

C15H14N4O5S (C15 H14 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(/C=N/NC(CNC(COc2ccccc2)=O)=O)s1)=O

InChI

InChI=1S/C15H14N4O5S/c20-13(18-17-8-12-6-7-15(25-12)19(22)23)9-16-14(21)10-24-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,21)(H,18,20)

InChI Key

ONDFKJGELFVAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01147275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.493

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.69

Polar Surface Area

102.063

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1805-1367 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 1805-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1805-1367?
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What is the minimum amount of 1805-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1367
  • 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 1805-1367 available by request