K977-0501 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

K977-0501 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
K977-0501 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0501
2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-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

K977-0501

Molecular Formula

C25H27ClFN3O4S (C25 H27 ClFN3 O4 S)

Compound Name

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

IUPAC name

2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc(ccc(F)c1)c1Cl)(=O)=O)C2=O)NCCC1=CCCCC1

InChI

InChI=1S/C25H27ClFN3O4S/c26-20-13-19(27)8-6-18(20)14-35(33,34)15-23-25(32)30-22-12-17(7-9-21(22)29-23)24(31)28-11-10-16-4-2-1-3-5-16/h4,6-9,12-13,23,29H,1-3,5,10-11,14-15H2,(H,28,31)(H,30,32)/t23-/m0/s1

InChI Key

YWMHZWMMPPWSSH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15115577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.02

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

3.731

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-4.23

Polar Surface Area

89.845

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

K977-0501 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 K977-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0501?
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What is the minimum amount of K977-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0501
  • 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 K977-0501 available by request