F053-0641 Screening compound: 1-{6-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-4-yl}ethan-1-one

F053-0641 Screening compound: 1-{6-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-4-yl}ethan-1-one
F053-0641 Screening compound: 1-{6-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F053-0641
1-{6-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-4-yl}ethan-1-one

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

F053-0641

Molecular Formula

C19H20N2O4S2 (C19 H20 N2 O4 S2)

Compound Name

1-{6-[(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-4-yl}ethan-1-one

IUPAC name

1-{6-[(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)sulfonyl]-34-dihydro-2H-14-benzothiazin-4-yl}ethan-1-one

SMILES

CC(N1c(cc(cc2)S(N3c(cc(C)cc4)c4OCC3)(=O)=O)c2SCC1)=O

InChI

InChI=1S/C19H20N2O4S2/c1-13-3-5-18-16(11-13)21(7-9-25-18)27(23,24)15-4-6-19-17(12-15)20(14(2)22)8-10-26-19/h3-6,11-12H,7-10H2,1-2H3

InChI Key

ZZTZOBQRTADWKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.39

Polar Surface Area

55.394

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F053-0641 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F053-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F053-0641?
Check Price and Availability of F053-0641, 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 F053-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F053-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F053-0641
  • 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 F053-0641 available by request