D466-0423 Screening compound: 4-fluoro-N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

D466-0423 Screening compound: 4-fluoro-N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide
D466-0423 Screening compound: 4-fluoro-N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0423
4-fluoro-N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

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

D466-0423

Molecular Formula

C21H23FN4O2 (C21 H23 FN4 O2)

Compound Name

4-fluoro-N~1~-[2-(3-methoxypropyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

IUPAC name

4-fluoro-N-[11-(3-methoxypropyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]benzamide

SMILES

COCCCN1Cc2nc(cc(cc3)NC(c(cc4)ccc4F)=O)c3n2CC1

InChI

InChI=1S/C21H23FN4O2/c1-28-12-2-9-25-10-11-26-19-8-7-17(13-18(19)24-20(26)14-25)23-21(27)15-3-5-16(22)6-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)

InChI Key

BIBVMMPFHPMILA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.37

Polar Surface Area

46.597

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D466-0423 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D466-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0423?
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What is the minimum amount of D466-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0423
  • 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 D466-0423 available by request