C701-0428 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,5-dimethylphenyl)acetamide

C701-0428 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,5-dimethylphenyl)acetamide
C701-0428 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C701-0428
2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-(2,5-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

C701-0428

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~-(2,5-dimethylphenyl)acetamide

IUPAC name

2-{11-benzyl-10-methyl-12-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-13-yl}-N-(25-dimethylphenyl)acetamide

SMILES

CC(c1nc(cccc2)c2n1C1CC(Nc2c(C)ccc(C)c2)=O)N(Cc2ccccc2)C1=O

InChI

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

InChI Key

YXTUOJGYHNUHGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786167

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

3.934

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-3.95

Polar Surface Area

48.766

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C701-0428 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 C701-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C701-0428?
Check Price and Availability of C701-0428, 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 C701-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C701-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C701-0428
  • 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 C701-0428 available by request