C700-1038 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-cyclopropylacetamide

C700-1038 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-cyclopropylacetamide
C700-1038 Screening compound: 2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1038
2-(2-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-4-yl)-N~1~-cyclopropylacetamide

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

C700-1038

Molecular Formula

C23H24N4O2 (C23 H24 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~-cyclopropylacetamide

IUPAC name

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

SMILES

CC(c1nc(cccc2)c2n1C1CC(NC2CC2)=O)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C23H24N4O2/c1-15-22-25-18-9-5-6-10-19(18)27(22)20(13-21(28)24-17-11-12-17)23(29)26(15)14-16-7-3-2-4-8-16/h2-10,15,17,20H,11-14H2,1H3,(H,24,28)

InChI Key

FNRLQEQMLKBPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

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

2.687

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-2.95

Polar Surface Area

50.843

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

C700-1038 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C700-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1038?
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What is the minimum amount of C700-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1038
  • 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 C700-1038 available by request