F846-0141 Screening compound: 6-chloro-2-methyl-1,1-dioxo-4-phenyl-N~3~-(4-propoxybenzyl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxamide

F846-0141 Screening compound: 6-chloro-2-methyl-1,1-dioxo-4-phenyl-N~3~-(4-propoxybenzyl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxamide
F846-0141 Screening compound: 6-chloro-2-methyl-1,1-dioxo-4-phenyl-N~3~-(4-propoxybenzyl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F846-0141
6-chloro-2-methyl-1,1-dioxo-4-phenyl-N~3~-(4-propoxybenzyl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-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

F846-0141

Molecular Formula

C26H25ClN2O4S (C26 H25 ClN2 O4 S)

Compound Name

6-chloro-2-methyl-1,1-dioxo-4-phenyl-N~3~-(4-propoxybenzyl)-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxamide

IUPAC name

6-chloro-2-methyl-11-dioxo-4-phenyl-N-[(4-propoxyphenyl)methyl]-2H-1lambda62-benzothiazine-3-carboxamide

SMILES

CCCOc1ccc(CNC(C(N2C)=C(c3ccccc3)c(cc(cc3)Cl)c3S2(=O)=O)=O)cc1

InChI

InChI=1S/C26H25ClN2O4S/c1-3-15-33-21-12-9-18(10-13-21)17-28-26(30)25-24(19-7-5-4-6-8-19)22-16-20(27)11-14-23(22)34(31,32)29(25)2/h4-14,16H,3,15,17H2,1-2H3,(H,28,30)

InChI Key

LWFVLKSXYCPRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.273

Distribution Coefficient, logD

6.273

Water Solubility, LogSw

-6.02

Polar Surface Area

64.508

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F846-0141 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F846-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F846-0141?
Check Price and Availability of F846-0141, 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 F846-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F846-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F846-0141
  • 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 F846-0141 available by request