J056-0060 Screening compound: N-[4-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-methylacetamide

J056-0060 Screening compound: N-[4-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-methylacetamide
J056-0060 Screening compound: N-[4-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J056-0060
N-[4-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-methylacetamide

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

J056-0060

Molecular Formula

C20H16ClF3N4O3 (C20 H16 ClF3 N4 O3)

Compound Name

N-[4-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]-N-methylacetamide

IUPAC name

N-[4-({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)-3-oxo-34-dihydroquinoxalin-2-yl]-N-methylacetamide

SMILES

CC(N(C)C1=Nc(cccc2)c2N(CC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C20H16ClF3N4O3/c1-11(29)27(2)18-19(31)28(16-6-4-3-5-14(16)26-18)10-17(30)25-15-9-12(20(22,23)24)7-8-13(15)21/h3-9H,10H2,1-2H3,(H,25,30)

InChI Key

QZMQQRLUIVKLPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.599

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-3.48

Polar Surface Area

61.328

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with J056-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J056-0060?
Check Price and Availability of J056-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J056-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J056-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J056-0060
  • 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 J056-0060 available by request