K977-0337 Screening compound: 3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

K977-0337 Screening compound: 3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
K977-0337 Screening compound: 3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0337
3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-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

K977-0337

Molecular Formula

C26H26ClN5O4S (C26 H26 ClN5 O4 S)

Compound Name

3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc1cccc(Cl)c1)(=O)=O)C2=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C26H26ClN5O4S/c27-20-5-3-4-18(14-20)16-37(35,36)17-23-25(33)30-22-15-19(7-8-21(22)29-23)26(34)32-12-10-31(11-13-32)24-6-1-2-9-28-24/h1-9,14-15,23,29H,10-13,16-17H2,(H,30,33)/t23-/m0/s1

InChI Key

SCSYKAMWPNGKHA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03021391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.56

Polar Surface Area

93.818

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

K977-0337 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K977-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0337?
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What is the minimum amount of K977-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0337
  • 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 K977-0337 available by request