L305-0157 Screening compound: 3-oxo-2-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

L305-0157 Screening compound: 3-oxo-2-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
L305-0157 Screening compound: 3-oxo-2-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L305-0157
3-oxo-2-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-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

L305-0157

Molecular Formula

C20H18F3N3O4S2 (C20 H18 F3 N3 O4 S2)

Compound Name

3-oxo-2-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

3-oxo-2-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

O=C(C1Sc(ccc(S(Nc2ccc(C(F)(F)F)cc2)(=O)=O)c2)c2NC1=O)N1CCCC1

InChI

InChI=1S/C20H18F3N3O4S2/c21-20(22,23)12-3-5-13(6-4-12)25-32(29,30)14-7-8-16-15(11-14)24-18(27)17(31-16)19(28)26-9-1-2-10-26/h3-8,11,17,25H,1-2,9-10H2,(H,24,27)/t17-/m0/s1

InChI Key

YBAPWLRXTRXXBS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27243134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.98

Polar Surface Area

82.780

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

L305-0157 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L305-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L305-0157?
Check Price and Availability of L305-0157, 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 L305-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L305-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L305-0157
  • 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 L305-0157 available by request