F136-0050 Screening compound: N-(2,4-dimethylphenyl)-2-[2-oxo-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-1-yl]acetamide

F136-0050 Screening compound: N-(2,4-dimethylphenyl)-2-[2-oxo-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-1-yl]acetamide
F136-0050 Screening compound: N-(2,4-dimethylphenyl)-2-[2-oxo-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F136-0050
N-(2,4-dimethylphenyl)-2-[2-oxo-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-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

F136-0050

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

N-(2,4-dimethylphenyl)-2-[2-oxo-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-1-yl]acetamide

IUPAC name

N-(24-dimethylphenyl)-2-[2-oxo-3-(pyrrolidin-1-yl)-12-dihydroquinoxalin-1-yl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(CN(c(cccc1)c1N=C1N2CCCC2)C1=O)=O

InChI

InChI=1S/C22H24N4O2/c1-15-9-10-17(16(2)13-15)23-20(27)14-26-19-8-4-3-7-18(19)24-21(22(26)28)25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,27)

InChI Key

ONNDZHGJBSESDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.282

Water Solubility, LogSw

-3.47

Polar Surface Area

49.037

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F136-0050 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F136-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F136-0050?
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What is the minimum amount of F136-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F136-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F136-0050
  • 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 F136-0050 available by request