D466-0335 Screening compound: N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(3-methylphenoxy)acetamide

D466-0335 Screening compound: N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(3-methylphenoxy)acetamide
D466-0335 Screening compound: N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0335
N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(3-methylphenoxy)acetamide

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

D466-0335

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(3-methylphenoxy)acetamide

IUPAC name

N-{11-butyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}-2-(3-methylphenoxy)acetamide

SMILES

CCCCN1Cc2nc(cc(cc3)NC(COc4cc(C)ccc4)=O)c3n2CC1

InChI

InChI=1S/C23H28N4O2/c1-3-4-10-26-11-12-27-21-9-8-18(14-20(21)25-22(27)15-26)24-23(28)16-29-19-7-5-6-17(2)13-19/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3,(H,24,28)

InChI Key

XBWXQIAQFSMBQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.02

Polar Surface Area

45.541

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D466-0335 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D466-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0335?
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What is the minimum amount of D466-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0335
  • 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 D466-0335 available by request