C548-4028 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-4028 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-4028 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-4028
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]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

C548-4028

Molecular Formula

C24H30FN5O4S (C24 H30 FN5 O4 S)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

CN(CC(NCCN(CC1)CCN1c(cccc1)c1F)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C24H30FN5O4S/c1-28(35(33,34)19-7-8-21-18(16-19)6-9-23(31)27-21)17-24(32)26-10-11-29-12-14-30(15-13-29)22-5-3-2-4-20(22)25/h2-5,7-8,16H,6,9-15,17H2,1H3,(H,26,32)(H,27,31)

InChI Key

PMQOPVBYVPXRRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-2.60

Polar Surface Area

88.878

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C548-4028 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C548-4028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-4028?
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What is the minimum amount of C548-4028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-4028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-4028
  • 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 C548-4028 available by request