C800-0690 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-({2,3-dimethyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indol-3-yl}formamido)acetamide

C800-0690 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-({2,3-dimethyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indol-3-yl}formamido)acetamide
C800-0690 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-({2,3-dimethyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indol-3-yl}formamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0690
N-[2-(4-chlorophenyl)ethyl]-2-({2,3-dimethyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indol-3-yl}formamido)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

C800-0690

Molecular Formula

C24H25ClN4O3 (C24 H25 ClN4 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-({2,3-dimethyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indol-3-yl}formamido)acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-({23-dimethyl-1-oxo-1H2H3H4H-pyrazino[12-a]indol-3-yl}formamido)acetamide

SMILES

CC(Cn(c1c2)c3c2cccc3)(C(NCC(NCCc(cc2)ccc2Cl)=O)=O)N(C)C1=O

InChI

InChI=1S/C24H25ClN4O3/c1-24(15-29-19-6-4-3-5-17(19)13-20(29)22(31)28(24)2)23(32)27-14-21(30)26-12-11-16-7-9-18(25)10-8-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t24-/m0/s1

InChI Key

LNUCJRUNJSTGHV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14799824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.67

Polar Surface Area

65.362

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C800-0690 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with C800-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0690?
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What is the minimum amount of C800-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0690
  • 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 C800-0690 available by request