D466-0366 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbenzamide

D466-0366 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbenzamide
D466-0366 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0366
N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-3-methylbenzamide

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

D466-0366

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N1Cc2nc(cc(cc3)NC(c4cc(C)ccc4)=O)c3n2CC1

InChI

InChI=1S/C21H24N4O/c1-14(2)24-9-10-25-19-8-7-17(12-18(19)23-20(25)13-24)22-21(26)16-6-4-5-15(3)11-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,26)

InChI Key

ULWQJTOKOBUYFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.89

Polar Surface Area

38.328

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D466-0366 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 D466-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0366?
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What is the minimum amount of D466-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0366
  • 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 D466-0366 available by request