8017-3815 Screening compound: N~6~-(tert-butyl)-4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydro-6-quinoxalinesulfonamide

8017-3815 Screening compound: N~6~-(tert-butyl)-4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydro-6-quinoxalinesulfonamide
8017-3815 Screening compound: N~6~-(tert-butyl)-4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydro-6-quinoxalinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3815
N~6~-(tert-butyl)-4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydro-6-quinoxalinesulfonamide

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

8017-3815

Molecular Formula

C14H19N3O3S2 (C14 H19 N3 O3 S2)

Compound Name

N~6~-(tert-butyl)-4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydro-6-quinoxalinesulfonamide

IUPAC name

N-tert-butyl-4-methyl-2-(methylsulfanyl)-3-oxo-34-dihydroquinoxaline-6-sulfonamide

SMILES

CC(C)(C)NS(c(cc1)cc(N(C)C2=O)c1N=C2SC)(=O)=O

InChI

InChI=1S/C14H19N3O3S2/c1-14(2,3)16-22(19,20)9-6-7-10-11(8-9)17(4)13(18)12(15-10)21-5/h6-8,16H,1-5H3

InChI Key

WGTKGDZIBDKQRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-2.55

Polar Surface Area

64.974

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8017-3815 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-3815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3815?
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What is the minimum amount of 8017-3815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3815
  • 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 8017-3815 available by request