D466-0349 Screening compound: N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide

D466-0349 Screening compound: N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide
D466-0349 Screening compound: N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0349
N~1~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide

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

D466-0349

Molecular Formula

C23H28N4O (C23 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCN1Cc2nc(cc(cc3)NC(CCc4ccccc4)=O)c3n2CC1

InChI

InChI=1S/C23H28N4O/c1-2-3-13-26-14-15-27-21-11-10-19(16-20(21)25-22(27)17-26)24-23(28)12-9-18-7-5-4-6-8-18/h4-8,10-11,16H,2-3,9,12-15,17H2,1H3,(H,24,28)

InChI Key

JOKFDIGBYUTTMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.94

Polar Surface Area

38.041

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D466-0349 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 D466-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0349?
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What is the minimum amount of D466-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0349
  • 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 D466-0349 available by request