8016-3044 Screening compound: N~1~-[3,5-bis(trifluoromethyl)phenyl]-4-methoxy-3-(morpholinocarbonyl)-1-benzenesulfonamide

8016-3044 Screening compound: N~1~-[3,5-bis(trifluoromethyl)phenyl]-4-methoxy-3-(morpholinocarbonyl)-1-benzenesulfonamide
8016-3044 Screening compound: N~1~-[3,5-bis(trifluoromethyl)phenyl]-4-methoxy-3-(morpholinocarbonyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3044
N~1~-[3,5-bis(trifluoromethyl)phenyl]-4-methoxy-3-(morpholinocarbonyl)-1-benzenesulfonamide

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

8016-3044

Molecular Formula

C20H18F6N2O5S (C20 H18 F6 N2 O5 S)

Compound Name

N~1~-[3,5-bis(trifluoromethyl)phenyl]-4-methoxy-3-(morpholinocarbonyl)-1-benzenesulfonamide

IUPAC name

N-[35-bis(trifluoromethyl)phenyl]-4-methoxy-3-(morpholine-4-carbonyl)benzene-1-sulfonamide

SMILES

COc(ccc(S(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O)c1)c1C(N1CCOCC1)=O

InChI

InChI=1S/C20H18F6N2O5S/c1-32-17-3-2-15(11-16(17)18(29)28-4-6-33-7-5-28)34(30,31)27-14-9-12(19(21,22)23)8-13(10-14)20(24,25)26/h2-3,8-11,27H,4-7H2,1H3

InChI Key

JCKXPPYGKROTLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.43

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

3.768

Distribution Coefficient, logD

1.305

Water Solubility, LogSw

-4.08

Polar Surface Area

73.075

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8016-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3044?
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What is the minimum amount of 8016-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3044
  • 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 8016-3044 available by request