K977-0152 Screening compound: 3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one

K977-0152 Screening compound: 3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one
K977-0152 Screening compound: 3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0152
3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]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

K977-0152

Molecular Formula

C29H29F3N4O4S (C29 H29 F3 N4 O4 S)

Compound Name

3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1234-tetrahydroquinoxalin-2-one

SMILES

Cc1cccc(CS(CC2Nc(ccc(C(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)=O)c3)c3NC2=O)(=O)=O)c1

InChI

InChI=1S/C29H29F3N4O4S/c1-19-4-2-5-20(14-19)17-41(39,40)18-26-27(37)34-25-15-21(8-9-24(25)33-26)28(38)36-12-10-35(11-13-36)23-7-3-6-22(16-23)29(30,31)32/h2-9,14-16,26,33H,10-13,17-18H2,1H3,(H,34,37)/t26-/m0/s1

InChI Key

YWQNNEBKSWUFPU-SANMLTNESA-N

MDL Number (MFCD)

MFCD15115539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.14

Polar Surface Area

85.307

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with K977-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0152?
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What is the minimum amount of K977-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0152
  • 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 K977-0152 available by request