C444-1820 Screening compound: 1-(6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

C444-1820 Screening compound: 1-(6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
C444-1820 Screening compound: 1-(6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1820
1-(6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

C444-1820

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

1-(6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

1-(6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(N(CCC1)c(cc2)c1cc2S(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C21H24N4O5S/c1-16(26)24-10-2-3-17-15-20(8-9-21(17)24)31(29,30)23-13-11-22(12-14-23)18-4-6-19(7-5-18)25(27)28/h4-9,15H,2-3,10-14H2,1H3

InChI Key

LXPIZYPHUQMQIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.51

Polar Surface Area

84.643

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C444-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1820?
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What is the minimum amount of C444-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1820
  • 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 C444-1820 available by request