1805-1329 Screening compound: N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-3-phenylpropanamide

1805-1329 Screening compound: N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-3-phenylpropanamide
1805-1329 Screening compound: N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1329
N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-3-phenylpropanamide

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

1805-1329

Molecular Formula

C19H17N5O5 (C19 H17 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(/C2=N\NC(CNC(CCc3ccccc3)=O)=O)c1NC2=O)=O

InChI

InChI=1S/C19H17N5O5/c25-16(9-6-12-4-2-1-3-5-12)20-11-17(26)22-23-18-14-10-13(24(28)29)7-8-15(14)21-19(18)27/h1-5,7-8,10H,6,9,11H2,(H,20,25)(H,22,26)(H,21,23,27)

InChI Key

RORQKSVFFXHJMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-3.37

Polar Surface Area

117.004

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1805-1329 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 1805-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1805-1329?
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What is the minimum amount of 1805-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1329
  • 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 1805-1329 available by request