C568-0078 Screening compound: N-(4-bromophenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

C568-0078 Screening compound: N-(4-bromophenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide
C568-0078 Screening compound: N-(4-bromophenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C568-0078
N-(4-bromophenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

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

C568-0078

Molecular Formula

C24H20BrFN4O3 (C24 H20 BrFN4 O3)

Compound Name

N-(4-bromophenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

IUPAC name

N-(4-bromophenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1234-tetrahydroquinoxalin-1-yl)acetamide

SMILES

O=C(CC1Nc(cccc2)c2N(CC(Nc(cc2)ccc2Br)=O)C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C24H20BrFN4O3/c25-15-5-9-17(10-6-15)28-23(32)14-30-21-4-2-1-3-19(21)29-20(24(30)33)13-22(31)27-18-11-7-16(26)8-12-18/h1-12,20,29H,13-14H2,(H,27,31)(H,28,32)/t20-/m1/s1

InChI Key

QUOMAFCCNICSGB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14772713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.39

Polar Surface Area

73.621

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C568-0078 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C568-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C568-0078?
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What is the minimum amount of C568-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C568-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C568-0078
  • 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 C568-0078 available by request