C700-2118 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C700-2118 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
C700-2118 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2118
2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]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

C700-2118

Molecular Formula

C27H26ClN3O5 (C27 H26 ClN3 O5)

Compound Name

2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-{4-[(4-chlorophenyl)methyl]-23-dioxo-1234-tetrahydroquinoxalin-1-yl}-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(CN(c(cccc1)c1N(Cc(cc1)ccc1Cl)C1=O)C1=O)=O)c1)c1OC

InChI

InChI=1S/C27H26ClN3O5/c1-35-23-12-9-18(15-24(23)36-2)13-14-29-25(32)17-31-22-6-4-3-5-21(22)30(26(33)27(31)34)16-19-7-10-20(28)11-8-19/h3-12,15H,13-14,16-17H2,1-2H3,(H,29,32)

InChI Key

ZMYKIYCQLPJOFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.59

Polar Surface Area

70.097

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C700-2118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C700-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2118?
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What is the minimum amount of C700-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2118
  • 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 C700-2118 available by request