3414-0215 Screening compound: 4-chloro-N'~1~-(1-ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

3414-0215 Screening compound: 4-chloro-N'~1~-(1-ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide
3414-0215 Screening compound: 4-chloro-N'~1~-(1-ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3414-0215
4-chloro-N'~1~-(1-ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

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

3414-0215

Molecular Formula

C18H23ClN4O (C18 H23 ClN4 O)

Compound Name

4-chloro-N'~1~-(1-ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

IUPAC name

4-chloro-N'-[(9E)-1-ethyl-36-diazatricyclo[4.3.1.1^{38}]undecan-9-ylidene]benzohydrazide

SMILES

CCC1(CN(CC2C3)CCN3C1)/C2=N/NC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H23ClN4O/c1-2-18-11-22-7-8-23(12-18)10-14(9-22)16(18)20-21-17(24)13-3-5-15(19)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,21,24)

InChI Key

OEYWQWLXOPHDPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-3.41

Polar Surface Area

40.711

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

3414-0215 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3414-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3414-0215?
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What is the minimum amount of 3414-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3414-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3414-0215
  • 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 3414-0215 available by request