1805-1303 Screening compound: 2-chloro-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

1805-1303 Screening compound: 2-chloro-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide
1805-1303 Screening compound: 2-chloro-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1303
2-chloro-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

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

1805-1303

Molecular Formula

C17H12ClN5O5 (C17 H12 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(/C2=N\NC(CNC(c(cccc3)c3Cl)=O)=O)c1NC2=O)=O

InChI

InChI=1S/C17H12ClN5O5/c18-12-4-2-1-3-10(12)16(25)19-8-14(24)21-22-15-11-7-9(23(27)28)5-6-13(11)20-17(15)26/h1-7H,8H2,(H,19,25)(H,21,24)(H,20,22,26)

InChI Key

NHMGWCLAQJXUKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.77

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.656

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-3.69

Polar Surface Area

117.217

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1805-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1303
  • 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 1805-1303 available by request