8014-5393 Screening compound: 4-(methylamino)-N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitrobenzamide

8014-5393 Screening compound: 4-(methylamino)-N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
8014-5393 Screening compound: 4-(methylamino)-N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5393
4-(methylamino)-N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitrobenzamide

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

8014-5393

Molecular Formula

C19H19F3N4O4 (C19 H19 F3 N4 O4)

Compound Name

4-(methylamino)-N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitrobenzamide

IUPAC name

4-(methylamino)-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide

SMILES

CNc(ccc(C(Nc(cc(C(F)(F)F)cc1)c1N1CCOCC1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H19F3N4O4/c1-23-14-4-2-12(10-17(14)26(28)29)18(27)24-15-11-13(19(20,21)22)3-5-16(15)25-6-8-30-9-7-25/h2-5,10-11,23H,6-9H2,1H3,(H,24,27)

InChI Key

DOLNMKBQJQFAMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

1.013

Water Solubility, LogSw

-4.15

Polar Surface Area

76.731

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with 8014-5393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5393?
Check Price and Availability of 8014-5393, 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 8014-5393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5393
  • 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 8014-5393 available by request