D466-0399 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide

D466-0399 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide
D466-0399 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0399
N~1~-(2-isopropyl-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

D466-0399

Molecular Formula

C22H26N4O (C22 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N1Cc2nc(cc(cc3)NC(CCc4ccccc4)=O)c3n2CC1

InChI

InChI=1S/C22H26N4O/c1-16(2)25-12-13-26-20-10-9-18(14-19(20)24-21(26)15-25)23-22(27)11-8-17-6-4-3-5-7-17/h3-7,9-10,14,16H,8,11-13,15H2,1-2H3,(H,23,27)

InChI Key

VMTXPVQEEYNOPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-4.02

Polar Surface Area

38.115

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D466-0399 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D466-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0399?
Check Price and Availability of D466-0399, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D466-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0399
  • 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 D466-0399 available by request