1805-1316 Screening compound: N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

1805-1316 Screening compound: N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
1805-1316 Screening compound: N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1316
N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

1805-1316

Molecular Formula

C19H15N5O7 (C19 H15 N5 O7)

Compound Name

N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-({N'-[(3E)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

[O-][N+](c(cc1)cc(/C2=N\NC(CNC(C3Oc(cccc4)c4OC3)=O)=O)c1NC2=O)=O

InChI

InChI=1S/C19H15N5O7/c25-16(8-20-18(26)15-9-30-13-3-1-2-4-14(13)31-15)22-23-17-11-7-10(24(28)29)5-6-12(11)21-19(17)27/h1-7,15H,8-9H2,(H,20,26)(H,22,25)(H,21,23,27)/t15-/m0/s1

InChI Key

KXTPPOHRACIDKL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01839244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.65

Polar Surface Area

132.654

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

1805-1316 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 1805-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1805-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1316
  • 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 1805-1316 available by request