C700-1036 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-propylacetamide

C700-1036 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-propylacetamide
C700-1036 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1036
2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-propylacetamide

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

C700-1036

Molecular Formula

C23H26N4O2 (C23 H26 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~-propylacetamide

IUPAC name

2-{11-benzyl-10-methyl-12-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-13-yl}-N-propylacetamide

SMILES

CCCNC(CC1n2c(cccc3)c3nc2C(C)N(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C23H26N4O2/c1-3-13-24-21(28)14-20-23(29)26(15-17-9-5-4-6-10-17)16(2)22-25-18-11-7-8-12-19(18)27(20)22/h4-12,16,20H,3,13-15H2,1-2H3,(H,24,28)

InChI Key

FGDVYQDCRJZACF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.575

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-2.86

Polar Surface Area

50.899

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

C700-1036 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C700-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1036?
Check Price and Availability of C700-1036, 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 C700-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1036
  • 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 C700-1036 available by request