C701-0429 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,4-dimethylphenyl)acetamide

C701-0429 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,4-dimethylphenyl)acetamide
C701-0429 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C701-0429
2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,4-dimethylphenyl)acetamide

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

C701-0429

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,4-dimethylphenyl)acetamide

IUPAC name

2-{11-benzyl-10-methyl-12-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-13-yl}-N-(24-dimethylphenyl)acetamide

SMILES

CC(c1nc(cccc2)c2n1C1CC(Nc2c(C)cc(C)cc2)=O)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C28H28N4O2/c1-18-13-14-22(19(2)15-18)29-26(33)16-25-28(34)31(17-21-9-5-4-6-10-21)20(3)27-30-23-11-7-8-12-24(23)32(25)27/h4-15,20,25H,16-17H2,1-3H3,(H,29,33)

InChI Key

MIBAKPBOERYJCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.33

Polar Surface Area

48.766

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C701-0429 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C701-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C701-0429?
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What is the minimum amount of C701-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C701-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C701-0429
  • 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 C701-0429 available by request