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

InChI

InChI=1S/C20H21N3O6S/c1-23(12-20(25)21-14-3-6-17-18(11-14)29-9-8-28-17)30(26,27)15-4-5-16-13(10-15)2-7-19(24)22-16/h3-6,10-11H,2,7-9,12H2,1H3,(H,21,25)(H,22,24)

InChI Key

HUGCZHKPHXKZHD-UHFFFAOYSA-N

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?
Check Price and Availability of C548-3876, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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