C701-0433 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-[3-(methylsulfanyl)phenyl]acetamide

C701-0433 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-[3-(methylsulfanyl)phenyl]acetamide
C701-0433 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C701-0433
2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-[3-(methylsulfanyl)phenyl]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

C701-0433

Molecular Formula

C27H26N4O2S (C27 H26 N4 O2 S)

Compound Name

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

IUPAC name

2-{11-benzyl-10-methyl-12-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-13-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CC(c1nc(cccc2)c2n1C1CC(Nc2cccc(SC)c2)=O)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C27H26N4O2S/c1-18-26-29-22-13-6-7-14-23(22)31(26)24(27(33)30(18)17-19-9-4-3-5-10-19)16-25(32)28-20-11-8-12-21(15-20)34-2/h3-15,18,24H,16-17H2,1-2H3,(H,28,32)

InChI Key

AIMVWTFOPZIAKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.36

Polar Surface Area

49.464

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

C701-0433 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C701-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C701-0433?
Check Price and Availability of C701-0433, 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 C701-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C701-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C701-0433
  • 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 C701-0433 available by request