C444-1837 Screening compound: 1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

C444-1837 Screening compound: 1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
C444-1837 Screening compound: 1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1837
1-(6-{[4-(3-chlorophenyl)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

C444-1837

Molecular Formula

C21H24ClN3O3S (C21 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

1-(6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(N(CCC1)c(cc2)c1cc2S(N(CC1)CCN1c1cccc(Cl)c1)(=O)=O)=O

InChI

InChI=1S/C21H24ClN3O3S/c1-16(26)25-9-3-4-17-14-20(7-8-21(17)25)29(27,28)24-12-10-23(11-13-24)19-6-2-5-18(22)15-19/h2,5-8,14-15H,3-4,9-13H2,1H3

InChI Key

ROCLEPFCNKZNHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.69

Polar Surface Area

51.262

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C444-1837 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C444-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1837?
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What is the minimum amount of C444-1837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1837
  • 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 C444-1837 available by request