3229-0578 Screening compound: 2-[(2E)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine

3229-0578 Screening compound: 2-[(2E)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
3229-0578 Screening compound: 2-[(2E)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0578
2-[(2E)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine

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

3229-0578

Molecular Formula

C19H22N8O4 (C19 H22 N8 O4)

Compound Name

2-[(2E)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine

IUPAC name

2-[(2E)-2-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-46-bis(pyrrolidin-1-yl)-135-triazine

SMILES

[O-][N+](c1c(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc2OCOc2c1)=O

InChI

InChI=1S/C19H22N8O4/c28-27(29)14-10-16-15(30-12-31-16)9-13(14)11-20-24-17-21-18(25-5-1-2-6-25)23-19(22-17)26-7-3-4-8-26/h9-11H,1-8,12H2,(H,21,22,23,24)

InChI Key

QNTUDZNWHLSFJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-5.01

Polar Surface Area

108.063

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

3229-0578 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3229-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0578?
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What is the minimum amount of 3229-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0578
  • 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 3229-0578 available by request