D466-0362 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbutanamide

D466-0362 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbutanamide
D466-0362 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0362
N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbutanamide

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

D466-0362

Molecular Formula

C18H26N4O (C18 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(Nc(cc1)cc2c1n(CCN(C1)C(C)C)c1n2)=O

InChI

InChI=1S/C18H26N4O/c1-12(2)9-18(23)19-14-5-6-16-15(10-14)20-17-11-21(13(3)4)7-8-22(16)17/h5-6,10,12-13H,7-9,11H2,1-4H3,(H,19,23)

InChI Key

HACGFCPQJMUYQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.25

Polar Surface Area

38.387

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D466-0362 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D466-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0362?
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What is the minimum amount of D466-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0362
  • 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 D466-0362 available by request