K977-0506 Screening compound: N-butyl-2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

K977-0506 Screening compound: N-butyl-2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
K977-0506 Screening compound: N-butyl-2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0506
N-butyl-2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

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

K977-0506

Molecular Formula

C21H23ClFN3O4S (C21 H23 ClFN3 O4 S)

Compound Name

N-butyl-2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H23ClFN3O4S/c1-2-3-8-24-20(27)13-5-7-17-18(9-13)26-21(28)19(25-17)12-31(29,30)11-14-4-6-15(23)10-16(14)22/h4-7,9-10,19,25H,2-3,8,11-12H2,1H3,(H,24,27)(H,26,28)/t19-/m0/s1

InChI Key

CVLSAAFMEHWPOA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15115579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.59

Polar Surface Area

89.924

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K977-0506 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K977-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0506?
Check Price and Availability of K977-0506, 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 K977-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0506
  • 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 K977-0506 available by request