C568-0039 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(3-{[(4-methylphenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

C568-0039 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(3-{[(4-methylphenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide
C568-0039 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(3-{[(4-methylphenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C568-0039
N-(5-chloro-2-methoxyphenyl)-2-(3-{[(4-methylphenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)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

C568-0039

Molecular Formula

C26H25ClN4O4 (C26 H25 ClN4 O4)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-(3-{[(4-methylphenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-(3-{[(4-methylphenyl)carbamoyl]methyl}-2-oxo-1234-tetrahydroquinoxalin-1-yl)acetamide

SMILES

Cc(cc1)ccc1NC(CC1Nc(cccc2)c2N(CC(Nc(cc(cc2)Cl)c2OC)=O)C1=O)=O

InChI

InChI=1S/C26H25ClN4O4/c1-16-7-10-18(11-8-16)28-24(32)14-21-26(34)31(22-6-4-3-5-19(22)29-21)15-25(33)30-20-13-17(27)9-12-23(20)35-2/h3-13,21,29H,14-15H2,1-2H3,(H,28,32)(H,30,33)/t21-/m1/s1

InChI Key

VHMVSRQDNDZVMS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04444982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.49

Polar Surface Area

80.554

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C568-0039 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C568-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C568-0039?
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What is the minimum amount of C568-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C568-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C568-0039
  • 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 C568-0039 available by request