1286-0208 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

1286-0208 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide
1286-0208 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0208
N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

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

1286-0208

Molecular Formula

C20H21N3O7 (C20 H21 N3 O7)

Compound Name

N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3,4,5-trimethoxybenzamide

IUPAC name

N-({N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-345-trimethoxybenzamide

SMILES

COc1cc(C(NCC(N/N=C/c(cc2)cc3c2OCO3)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C20H21N3O7/c1-26-16-7-13(8-17(27-2)19(16)28-3)20(25)21-10-18(24)23-22-9-12-4-5-14-15(6-12)30-11-29-14/h4-9H,10-11H2,1-3H3,(H,21,25)(H,23,24)

InChI Key

PQOMYHBUHGSZLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00341889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-3.09

Polar Surface Area

100.119

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1286-0208 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 1286-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0208?
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What is the minimum amount of 1286-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0208
  • 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 1286-0208 available by request