2181-0622 Screening compound: 2-[(2-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

2181-0622 Screening compound: 2-[(2-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide
2181-0622 Screening compound: 2-[(2-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0622
2-[(2-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

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

2181-0622

Molecular Formula

C17H15N5O4 (C17 H15 N5 O4)

Compound Name

2-[(2-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

IUPAC name

2-[(2-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]acetohydrazide

SMILES

Cc(cccc1)c1NCC(N/N=C(\c(cc(cc1)[N+]([O-])=O)c1N1)/C1=O)=O

InChI

InChI=1S/C17H15N5O4/c1-10-4-2-3-5-13(10)18-9-15(23)20-21-16-12-8-11(22(25)26)6-7-14(12)19-17(16)24/h2-8,18H,9H2,1H3,(H,20,23)(H,19,21,24)

InChI Key

KBUKKUMLAKCZOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-3.15

Polar Surface Area

102.341

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 2181-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0622?
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What is the minimum amount of 2181-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0622
  • 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 2181-0622 available by request