F053-2554 Screening compound: N-[(4-chlorophenyl)methyl]-4-cyclopropanecarbonyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

F053-2554 Screening compound: N-[(4-chlorophenyl)methyl]-4-cyclopropanecarbonyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
F053-2554 Screening compound: N-[(4-chlorophenyl)methyl]-4-cyclopropanecarbonyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F053-2554
N-[(4-chlorophenyl)methyl]-4-cyclopropanecarbonyl-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

F053-2554

Molecular Formula

C19H19ClN2O3S2 (C19 H19 ClN2 O3 S2)

Compound Name

N-[(4-chlorophenyl)methyl]-4-cyclopropanecarbonyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-cyclopropanecarbonyl-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

O=C(C1CC1)N1c(cc(cc2)S(NCc(cc3)ccc3Cl)(=O)=O)c2SCC1

InChI

InChI=1S/C19H19ClN2O3S2/c20-15-5-1-13(2-6-15)12-21-27(24,25)16-7-8-18-17(11-16)22(9-10-26-18)19(23)14-3-4-14/h1-2,5-8,11,14,21H,3-4,9-10,12H2

InChI Key

HJRIMCVOBMXFRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.41

Polar Surface Area

57.833

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F053-2554 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F053-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F053-2554?
Check Price and Availability of F053-2554, 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 F053-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F053-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F053-2554
  • 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 F053-2554 available by request