C597-0057 Screening compound: ethyl 4-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanoyl]piperazine-1-carboxylate

C597-0057 Screening compound: ethyl 4-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanoyl]piperazine-1-carboxylate
C597-0057 Screening compound: ethyl 4-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0057
ethyl 4-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanoyl]piperazine-1-carboxylate

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

C597-0057

Molecular Formula

C25H30N4O6S (C25 H30 N4 O6 S)

Compound Name

ethyl 4-[2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O)=O

InChI

InChI=1S/C25H30N4O6S/c1-2-35-25(32)29-14-12-28(13-15-29)24(31)22(16-18-6-4-3-5-7-18)27-36(33,34)20-9-10-21-19(17-20)8-11-23(30)26-21/h3-7,9-10,17,22,27H,2,8,11-16H2,1H3,(H,26,30)/t22-/m0/s1

InChI Key

XSWHMQISOZYEES-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14774356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-2.95

Polar Surface Area

106.090

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C597-0057 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C597-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0057?
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What is the minimum amount of C597-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0057
  • 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 C597-0057 available by request