1805-1309 Screening compound: 2-methoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

1805-1309 Screening compound: 2-methoxy-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide
1805-1309 Screening compound: 2-methoxy-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 1805-1309
2-methoxy-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

1805-1309

Molecular Formula

C18H15N5O6 (C18 H15 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(NCC(N/N=C(\c(cc(cc1)[N+]([O-])=O)c1N1)/C1=O)=O)=O

InChI

InChI=1S/C18H15N5O6/c1-29-14-5-3-2-4-11(14)17(25)19-9-15(24)21-22-16-12-8-10(23(27)28)6-7-13(12)20-18(16)26/h2-8H,9H2,1H3,(H,19,25)(H,21,24)(H,20,22,26)

InChI Key

NYZQSYQVTLZVAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-3.06

Polar Surface Area

124.848

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1805-1309 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 1805-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1309
  • 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 1805-1309 available by request