F136-0041 Screening compound: N-benzyl-N-(4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)acetamide

F136-0041 Screening compound: N-benzyl-N-(4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)acetamide
F136-0041 Screening compound: N-benzyl-N-(4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F136-0041
N-benzyl-N-(4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-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

F136-0041

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

N-benzyl-N-(4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)acetamide

IUPAC name

N-benzyl-N-(4-{[(23-dimethylphenyl)carbamoyl]methyl}-3-oxo-34-dihydroquinoxalin-2-yl)acetamide

SMILES

CC(N(Cc1ccccc1)C1=Nc(cccc2)c2N(CC(Nc2c(C)c(C)ccc2)=O)C1=O)=O

InChI

InChI=1S/C27H26N4O3/c1-18-10-9-14-22(19(18)2)28-25(33)17-31-24-15-8-7-13-23(24)29-26(27(31)34)30(20(3)32)16-21-11-5-4-6-12-21/h4-15H,16-17H2,1-3H3,(H,28,33)

InChI Key

YPRZXLYJBZZWEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.96

Polar Surface Area

61.310

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F136-0041 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F136-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F136-0041?
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What is the minimum amount of F136-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F136-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F136-0041
  • 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 F136-0041 available by request