1805-1331 Screening compound: 2-(3-methylphenoxy)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

1805-1331 Screening compound: 2-(3-methylphenoxy)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide
1805-1331 Screening compound: 2-(3-methylphenoxy)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1331
2-(3-methylphenoxy)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

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

1805-1331

Molecular Formula

C19H17N5O6 (C19 H17 N5 O6)

Compound Name

2-(3-methylphenoxy)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

IUPAC name

2-(3-methylphenoxy)-N-({N'-[(3E)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)acetamide

SMILES

Cc1cccc(OCC(NCC(N/N=C(\c(cc(cc2)[N+]([O-])=O)c2N2)/C2=O)=O)=O)c1

InChI

InChI=1S/C19H17N5O6/c1-11-3-2-4-13(7-11)30-10-17(26)20-9-16(25)22-23-18-14-8-12(24(28)29)5-6-15(14)21-19(18)27/h2-8H,9-10H2,1H3,(H,20,26)(H,22,25)(H,21,23,27)

InChI Key

FUVHZZKTZQURLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-3.09

Polar Surface Area

124.503

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1805-1331 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 1805-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1805-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1331
  • 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 1805-1331 available by request