K977-0248 Screening compound: 3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

K977-0248 Screening compound: 3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
K977-0248 Screening compound: 3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0248
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)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

K977-0248

Molecular Formula

C27H26F2N4O4S (C27 H26 F2 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc(cc1)ccc1F)(=O)=O)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C27H26F2N4O4S/c28-20-4-1-18(2-5-20)16-38(36,37)17-25-26(34)31-24-15-19(3-10-23(24)30-25)27(35)33-13-11-32(12-14-33)22-8-6-21(29)7-9-22/h1-10,15,25,30H,11-14,16-17H2,(H,31,34)/t25-/m0/s1

InChI Key

MYJRXWNRUUFMIO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03021386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.93

Polar Surface Area

85.307

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K977-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K977-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0248?
Check Price and Availability of K977-0248, 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 K977-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0248
  • 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 K977-0248 available by request