C669-2729 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methoxyquinoxalin-2-yl)-4-chlorobenzene-1-sulfonamide

C669-2729 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methoxyquinoxalin-2-yl)-4-chlorobenzene-1-sulfonamide
C669-2729 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methoxyquinoxalin-2-yl)-4-chlorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C669-2729
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methoxyquinoxalin-2-yl)-4-chlorobenzene-1-sulfonamide

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

C669-2729

Molecular Formula

C23H19ClN4O5S (C23 H19 ClN4 O5 S)

Compound Name

N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methoxyquinoxalin-2-yl)-4-chlorobenzene-1-sulfonamide

IUPAC name

N-(3-{[(2H-13-benzodioxol-5-yl)methyl]amino}-6-methoxyquinoxalin-2-yl)-4-chlorobenzene-1-sulfonamide

SMILES

COc(cc1nc2NCc(cc3)cc4c3OCO4)ccc1nc2NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C23H19ClN4O5S/c1-31-16-5-8-18-19(11-16)27-22(25-12-14-2-9-20-21(10-14)33-13-32-20)23(26-18)28-34(29,30)17-6-3-15(24)4-7-17/h2-11H,12-13H2,1H3,(H,25,27)(H,26,28)

InChI Key

YZLDXQVFKVCCCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-4.84

Polar Surface Area

93.994

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C669-2729 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C669-2729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C669-2729?
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What is the minimum amount of C669-2729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C669-2729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C669-2729
  • 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 C669-2729 available by request