K977-0378 Screening compound: 3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

K977-0378 Screening compound: 3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
K977-0378 Screening compound: 3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0378
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-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

K977-0378

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

n/a

SMILES

Cc1cc(CS(CC2Nc(ccc(C(N(CC3)Cc4c3cccc4)=O)c3)c3NC2=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C28H29N3O4S/c1-18-7-8-19(2)23(13-18)16-36(34,35)17-26-27(32)30-25-14-21(9-10-24(25)29-26)28(33)31-12-11-20-5-3-4-6-22(20)15-31/h3-10,13-14,26,29H,11-12,15-17H2,1-2H3,(H,30,32)/t26-/m0/s1

InChI Key

DQNISNGXSFQNIO-SANMLTNESA-N

MDL Number (MFCD)

MFCD03021394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-3.93

Polar Surface Area

81.708

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

K977-0378 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K977-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0378?
Check Price and Availability of K977-0378, 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 K977-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0378
  • 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 K977-0378 available by request