F824-0147 Screening compound: 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

F824-0147 Screening compound: 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
F824-0147 Screening compound: 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F824-0147
4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

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

F824-0147

Molecular Formula

C21H21F3N4O5S (C21 H21 F3 N4 O5 S)

Compound Name

4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-[(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

CC1Oc(ccc(S(N(CC2)CCN2C(Nc2cc(C(F)(F)F)ccc2)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C21H21F3N4O5S/c1-13-19(29)26-17-12-16(5-6-18(17)33-13)34(31,32)28-9-7-27(8-10-28)20(30)25-15-4-2-3-14(11-15)21(22,23)24/h2-6,11-13H,7-10H2,1H3,(H,25,30)(H,26,29)/t13-/m1/s1

InChI Key

WHXFLGMRARIDSY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14967416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.971

Distribution Coefficient, logD

2.971

Water Solubility, LogSw

-3.58

Polar Surface Area

89.835

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F824-0147 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 F824-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F824-0147?
Check Price and Availability of F824-0147, 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 F824-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F824-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F824-0147
  • 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 F824-0147 available by request