C548-3876 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{methyl[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]amino}acetamide

C548-3876 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{methyl[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]amino}acetamide
C548-3876 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{methyl[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3876
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{methyl[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]amino}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

C548-3876

Molecular Formula

C20H21N3O6S (C20 H21 N3 O6 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{methyl[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]amino}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

CN(CC(Nc(cc1)cc2c1OCCO2)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.857

Distribution Coefficient, logD

0.855

Water Solubility, LogSw

-2.55

Polar Surface Area

96.596

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C548-3876 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Immunological Library (6760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C548-3876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3876?
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What is the minimum amount of C548-3876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3876
  • 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 C548-3876 available by request