C568-0074 Screening compound: N-(2,6-dimethylphenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

C568-0074 Screening compound: N-(2,6-dimethylphenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide
C568-0074 Screening compound: N-(2,6-dimethylphenyl)-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 C568-0074
N-(2,6-dimethylphenyl)-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

C568-0074

Molecular Formula

C26H25FN4O3 (C26 H25 FN4 O3)

Compound Name

N-(2,6-dimethylphenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetamide

IUPAC name

N-(26-dimethylphenyl)-2-(3-{[(4-fluorophenyl)carbamoyl]methyl}-2-oxo-1234-tetrahydroquinoxalin-1-yl)acetamide

SMILES

Cc1cccc(C)c1NC(CN1c(cccc2)c2NC(CC(Nc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C26H25FN4O3/c1-16-6-5-7-17(2)25(16)30-24(33)15-31-22-9-4-3-8-20(22)29-21(26(31)34)14-23(32)28-19-12-10-18(27)11-13-19/h3-13,21,29H,14-15H2,1-2H3,(H,28,32)(H,30,33)/t21-/m0/s1

InChI Key

NPZAINOVKWXZMI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14772712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

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

3.646

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-3.87

Polar Surface Area

72.226

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C568-0074 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C568-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C568-0074?
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What is the minimum amount of C568-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C568-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C568-0074
  • 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 C568-0074 available by request