K976-0239 Screening compound: 7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,2,3,4-tetrahydroquinoxalin-2-one

K976-0239 Screening compound: 7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,2,3,4-tetrahydroquinoxalin-2-one
K976-0239 Screening compound: 7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K976-0239
7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-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

K976-0239

Molecular Formula

C28H28ClFN4O2S (C28 H28 ClFN4 O2 S)

Compound Name

7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1234-tetrahydroquinoxalin-2-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c(cc1)cc(N2)c1NC(CSCc(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C28H28ClFN4O2S/c1-18-2-6-21(29)15-26(18)33-10-12-34(13-11-33)28(36)20-5-9-23-24(14-20)32-27(35)25(31-23)17-37-16-19-3-7-22(30)8-4-19/h2-9,14-15,25,31H,10-13,16-17H2,1H3,(H,32,35)/t25-/m1/s1

InChI Key

QHUOTHFMDIRPIM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03021286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.227

Water Solubility, LogSw

-5.76

Polar Surface Area

56.705

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

K976-0239 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K976-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K976-0239?
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What is the minimum amount of K976-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K976-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K976-0239
  • 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 K976-0239 available by request