E589-0011 Screening compound: 4-acetyl-2-methyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E589-0011 Screening compound: 4-acetyl-2-methyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E589-0011 Screening compound: 4-acetyl-2-methyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0011
4-acetyl-2-methyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-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

E589-0011

Molecular Formula

C18H17F3N2O4S (C18 H17 F3 N2 O4 S)

Compound Name

4-acetyl-2-methyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-acetyl-2-methyl-N-[3-(trifluoromethyl)phenyl]-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CC(C1)Oc(ccc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c2)c2N1C(C)=O

InChI

InChI=1S/C18H17F3N2O4S/c1-11-10-23(12(2)24)16-9-15(6-7-17(16)27-11)28(25,26)22-14-5-3-4-13(8-14)18(19,20)21/h3-9,11,22H,10H2,1-2H3/t11-/m1/s1

InChI Key

GGDCGTZOMYYPDO-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14900199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-4.01

Polar Surface Area

63.989

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with E589-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0011?
Check Price and Availability of E589-0011, 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 E589-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0011
  • 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 E589-0011 available by request