K977-0488 Screening compound: 2-{[(2-chloro-4-fluorobenzyl)sulfonyl]methyl}-N-cyclopentyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide

K977-0488 Screening compound: 2-{[(2-chloro-4-fluorobenzyl)sulfonyl]methyl}-N-cyclopentyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide
K977-0488 Screening compound: 2-{[(2-chloro-4-fluorobenzyl)sulfonyl]methyl}-N-cyclopentyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0488
2-{[(2-chloro-4-fluorobenzyl)sulfonyl]methyl}-N-cyclopentyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide

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

K977-0488

Molecular Formula

C22H23ClFN3O4S (C22 H23 ClFN3 O4 S)

Compound Name

2-{[(2-chloro-4-fluorobenzyl)sulfonyl]methyl}-N-cyclopentyl-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxamide

IUPAC name

2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-cyclopentyl-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc(ccc(F)c1)c1Cl)(=O)=O)C2=O)NC1CCCC1

InChI

InChI=1S/C22H23ClFN3O4S/c23-17-10-15(24)7-5-14(17)11-32(30,31)12-20-22(29)27-19-9-13(6-8-18(19)26-20)21(28)25-16-3-1-2-4-16/h5-10,16,20,26H,1-4,11-12H2,(H,25,28)(H,27,29)/t20-/m0/s1

InChI Key

VUITVVGUZYZMKY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15115575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.68

Polar Surface Area

89.903

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

K977-0488 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K977-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0488?
Check Price and Availability of K977-0488, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K977-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0488
  • 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 K977-0488 available by request