8014-5092 Screening compound: N~1~-[4-morpholino-3-(trifluoromethyl)phenyl]-3-nitro-4-(phenylsulfanyl)benzamide

8014-5092 Screening compound: N~1~-[4-morpholino-3-(trifluoromethyl)phenyl]-3-nitro-4-(phenylsulfanyl)benzamide
8014-5092 Screening compound: N~1~-[4-morpholino-3-(trifluoromethyl)phenyl]-3-nitro-4-(phenylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5092
N~1~-[4-morpholino-3-(trifluoromethyl)phenyl]-3-nitro-4-(phenylsulfanyl)benzamide

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

8014-5092

Molecular Formula

C24H20F3N3O4S (C24 H20 F3 N3 O4 S)

Compound Name

N~1~-[4-morpholino-3-(trifluoromethyl)phenyl]-3-nitro-4-(phenylsulfanyl)benzamide

IUPAC name

N-[4-(morpholin-4-yl)-3-(trifluoromethyl)phenyl]-3-nitro-4-(phenylsulfanyl)benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc(cc2)cc(C(F)(F)F)c2N2CCOCC2)=O)c1Sc1ccccc1)=O

InChI

InChI=1S/C24H20F3N3O4S/c25-24(26,27)19-15-17(7-8-20(19)29-10-12-34-13-11-29)28-23(31)16-6-9-22(21(14-16)30(32)33)35-18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,28,31)

InChI Key

YKXJSGKXGXIWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.044

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-6.00

Polar Surface Area

67.199

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

References: we are preparing a list of scientific research reports with 8014-5092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5092?
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What is the minimum amount of 8014-5092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5092
  • 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 8014-5092 available by request