4554-6397 Screening compound: N-[2-chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide

4554-6397 Screening compound: N-[2-chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
4554-6397 Screening compound: N-[2-chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-6397
N-[2-chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]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

4554-6397

Molecular Formula

C25H27ClN4O4S2 (C25 H27 ClN4 O4 S2)

Compound Name

N-[2-chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(3-cyano-77-dimethyl-5-oxo-5678-tetrahydroquinolin-2-yl)sulfanyl]acetamide

SMILES

CC(C)(Cc(nc1SCC(Nc(cc(cc2)S(N3CCCCC3)(=O)=O)c2Cl)=O)c2cc1C#N)CC2=O

InChI

InChI=1S/C25H27ClN4O4S2/c1-25(2)12-21-18(22(31)13-25)10-16(14-27)24(29-21)35-15-23(32)28-20-11-17(6-7-19(20)26)36(33,34)30-8-4-3-5-9-30/h6-7,10-11H,3-5,8-9,12-13,15H2,1-2H3,(H,28,32)

InChI Key

QFIHNXSONRKWTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03153969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.1

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.40

Polar Surface Area

94.602

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with 4554-6397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-6397?
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What is the minimum amount of 4554-6397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-6397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-6397
  • 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 4554-6397 available by request