3414-0204 Screening compound: 4-fluoro-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide

3414-0204 Screening compound: 4-fluoro-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide
3414-0204 Screening compound: 4-fluoro-N'~1~-(1-phenyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yliden)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3414-0204
4-fluoro-N'~1~-(1-phenyl-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

3414-0204

Molecular Formula

C22H23FN4O (C22 H23 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1F)N/N=C(\C(C1)CN(C2)CCN1C1)/C12c1ccccc1

InChI

InChI=1S/C22H23FN4O/c23-19-8-6-16(7-9-19)21(28)25-24-20-17-12-26-10-11-27(13-17)15-22(20,14-26)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,25,28)

InChI Key

JWJRAISBKPQENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01901994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

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

2.706

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-2.93

Polar Surface Area

40.439

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3414-0204 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3414-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3414-0204?
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What is the minimum amount of 3414-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3414-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3414-0204
  • 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 3414-0204 available by request