4830-0599 Screening compound: N'~4~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)isonicotinohydrazide

4830-0599 Screening compound: N'~4~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)isonicotinohydrazide
4830-0599 Screening compound: N'~4~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)isonicotinohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4830-0599
N'~4~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)isonicotinohydrazide

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

4830-0599

Molecular Formula

C21H23N5O (C21 H23 N5 O)

Compound Name

N'~4~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)isonicotinohydrazide

IUPAC name

N'-[(9E)-1-phenyl-36-diazatricyclo[4.3.1.1^{38}]undecan-9-ylidene]pyridine-4-carbohydrazide

SMILES

O=C(c1ccncc1)N/N=C(\C(C1)CN(C2)CCN1C1)/C12c1ccccc1

InChI

InChI=1S/C21H23N5O/c27-20(16-6-8-22-9-7-16)24-23-19-17-12-25-10-11-26(13-17)15-21(19,14-25)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,24,27)

InChI Key

KNOZSASMEMHOSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01901999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.428

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-1.49

Polar Surface Area

49.867

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4830-0599 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4830-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4830-0599?
Check Price and Availability of 4830-0599, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4830-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4830-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4830-0599
  • 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 4830-0599 available by request