C301-9554 Screening compound: N~1~-[7-(benzylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl]-3-fluorobenzamide

C301-9554 Screening compound: N~1~-[7-(benzylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl]-3-fluorobenzamide
C301-9554 Screening compound: N~1~-[7-(benzylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9554
N~1~-[7-(benzylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl]-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

C301-9554

Molecular Formula

C24H21FN4O3 (C24 H21 FN4 O3)

Compound Name

N~1~-[7-(benzylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl]-3-fluorobenzamide

IUPAC name

n/a

SMILES

CN(c(c(N(C)C1=O)c2)cc(NCc3ccccc3)c2NC(c2cccc(F)c2)=O)C1=O

InChI

InChI=1S/C24H21FN4O3/c1-28-20-12-18(26-14-15-7-4-3-5-8-15)19(13-21(20)29(2)24(32)23(28)31)27-22(30)16-9-6-10-17(25)11-16/h3-13,26H,14H2,1-2H3,(H,27,30)

InChI Key

IDCZLTQRUZYRIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.57

Polar Surface Area

62.528

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C301-9554 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 C301-9554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9554?
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What is the minimum amount of C301-9554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9554
  • 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 C301-9554 available by request