E245-0447 Screening compound: 6-METHYL-3-OXO-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE

E245-0447 Screening compound: 6-METHYL-3-OXO-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE
E245-0447 Screening compound: 6-METHYL-3-OXO-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0447
6-METHYL-3-OXO-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE

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

E245-0447

Molecular Formula

C16H13F3N2O5S (C16 H13 F3 N2 O5 S)

Compound Name

6-METHYL-3-OXO-N-[4-(TRIFLUOROMETHOXY)PHENYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE

IUPAC name

6-methyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(Nc(cc1)ccc1OC(F)(F)F)(=O)=O

InChI

InChI=1S/C16H13F3N2O5S/c1-9-6-12-13(25-8-15(22)20-12)7-14(9)27(23,24)21-10-2-4-11(5-3-10)26-16(17,18)19/h2-7,21H,8H2,1H3,(H,20,22)

InChI Key

KJBYLADNRYWSIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.52

Polar Surface Area

80.095

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

E245-0447 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E245-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0447?
Check Price and Availability of E245-0447, 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 E245-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0447
  • 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 E245-0447 available by request