D466-0374 Screening compound: 4-(tert-butyl)-N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide

D466-0374 Screening compound: 4-(tert-butyl)-N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide
D466-0374 Screening compound: 4-(tert-butyl)-N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0374
4-(tert-butyl)-N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)benzamide

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

D466-0374

Molecular Formula

C24H30N4O (C24 H30 N4 O)

Compound Name

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

IUPAC name

4-tert-butyl-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(c4ccc(C(C)(C)C)cc4)=O)c3n2CC1

InChI

InChI=1S/C24H30N4O/c1-16(2)27-12-13-28-21-11-10-19(14-20(21)26-22(28)15-27)25-23(29)17-6-8-18(9-7-17)24(3,4)5/h6-11,14,16H,12-13,15H2,1-5H3,(H,25,29)

InChI Key

HHNAMWZAMPIXNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

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

5.153

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-4.95

Polar Surface Area

38.328

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D466-0374 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D466-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0374?
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What is the minimum amount of D466-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0374
  • 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 D466-0374 available by request