C301-9176 Screening compound: N-[1,4-dimethyl-2,3-dioxo-7-(phenylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-propoxybenzamide

C301-9176 Screening compound: N-[1,4-dimethyl-2,3-dioxo-7-(phenylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-propoxybenzamide
C301-9176 Screening compound: N-[1,4-dimethyl-2,3-dioxo-7-(phenylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9176
N-[1,4-dimethyl-2,3-dioxo-7-(phenylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-propoxybenzamide

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

C301-9176

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

N-[1,4-dimethyl-2,3-dioxo-7-(phenylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-propoxybenzamide

IUPAC name

N-[14-dimethyl-23-dioxo-7-(phenylsulfanyl)-1234-tetrahydroquinoxalin-6-yl]-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc(cc(c(N(C)C1=O)c2)N(C)C1=O)c2Sc1ccccc1)=O

InChI

InChI=1S/C26H25N3O4S/c1-4-14-33-18-12-10-17(11-13-18)24(30)27-20-15-21-22(29(3)26(32)25(31)28(21)2)16-23(20)34-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,27,30)

InChI Key

XVGVZRZTDIMMSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.18

Polar Surface Area

60.137

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C301-9176 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C301-9176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9176?
Check Price and Availability of C301-9176, 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 C301-9176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9176
  • 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 C301-9176 available by request