C548-3760 Screening compound: N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2-(N-METHYL2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDO)ACETAMIDE

C548-3760 Screening compound: N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2-(N-METHYL2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDO)ACETAMIDE
C548-3760 Screening compound: N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2-(N-METHYL2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDO)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3760
N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2-(N-METHYL2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDO)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

C548-3760

Molecular Formula

C22H27N3O6S (C22 H27 N3 O6 S)

Compound Name

N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2-(N-METHYL2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDO)ACETAMIDE

IUPAC name

n/a

SMILES

CN(CC(NCCc(cc1)cc(OC)c1OC)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C22H27N3O6S/c1-25(32(28,29)17-6-7-18-16(13-17)5-9-21(26)24-18)14-22(27)23-11-10-15-4-8-19(30-2)20(12-15)31-3/h4,6-8,12-13H,5,9-11,14H2,1-3H3,(H,23,27)(H,24,26)

InChI Key

HFTWMNUNOTUJAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.754

Distribution Coefficient, logD

0.752

Water Solubility, LogSw

-2.55

Polar Surface Area

97.197

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C548-3760 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C548-3760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3760?
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What is the minimum amount of C548-3760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3760
  • 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 C548-3760 available by request