F033-0401 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(4-FLUOROBENZYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXAMIDE

F033-0401 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(4-FLUOROBENZYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXAMIDE
F033-0401 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(4-FLUOROBENZYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-0401
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(4-FLUOROBENZYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXAMIDE

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

F033-0401

Molecular Formula

C21H21FN2O3 (C21 H21 FN2 O3)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(4-FLUOROBENZYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C1=CCN(Cc(cc2)ccc2F)CC1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H21FN2O3/c22-17-3-1-15(2-4-17)14-24-9-7-16(8-10-24)21(25)23-18-5-6-19-20(13-18)27-12-11-26-19/h1-7,13H,8-12,14H2,(H,23,25)

InChI Key

VOJXQFUSVGUXJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

1.370

Water Solubility, LogSw

-3.07

Polar Surface Area

42.885

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F033-0401 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F033-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-0401?
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What is the minimum amount of F033-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-0401
  • 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 F033-0401 available by request