C301-9450 Screening compound: N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3-fluorobenzamide

C301-9450 Screening compound: N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3-fluorobenzamide
C301-9450 Screening compound: N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9450
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-3-fluorobenzamide

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

C301-9450

Molecular Formula

C21H23FN4O3 (C21 H23 FN4 O3)

Compound Name

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

IUPAC name

N-[7-(diethylamino)-14-dimethyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl]-3-fluorobenzamide

SMILES

CCN(CC)c(cc(c(N(C)C1=O)c2)N(C)C1=O)c2NC(c1cccc(F)c1)=O

InChI

InChI=1S/C21H23FN4O3/c1-5-26(6-2)16-12-18-17(24(3)20(28)21(29)25(18)4)11-15(16)23-19(27)13-8-7-9-14(22)10-13/h7-12H,5-6H2,1-4H3,(H,23,27)

InChI Key

URCWFGZPFMEMFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-3.00

Polar Surface Area

55.426

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C301-9450 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9450?
Check Price and Availability of C301-9450, 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 C301-9450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9450
  • 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 C301-9450 available by request