G549-0105 Screening compound: 6-(azepane-1-sulfonyl)-4-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

G549-0105 Screening compound: 6-(azepane-1-sulfonyl)-4-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
G549-0105 Screening compound: 6-(azepane-1-sulfonyl)-4-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G549-0105
6-(azepane-1-sulfonyl)-4-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-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

G549-0105

Molecular Formula

C21H23ClN2O3S2 (C21 H23 ClN2 O3 S2)

Compound Name

6-(azepane-1-sulfonyl)-4-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-(azepane-1-sulfonyl)-4-[(2-chlorophenyl)methyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C1N(Cc(cccc2)c2Cl)c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2SC1

InChI

InChI=1S/C21H23ClN2O3S2/c22-18-8-4-3-7-16(18)14-24-19-13-17(9-10-20(19)28-15-21(24)25)29(26,27)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2

InChI Key

QMCLROFOWQJYNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.87

Polar Surface Area

47.661

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with G549-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G549-0105?
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What is the minimum amount of G549-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G549-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G549-0105
  • 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 G549-0105 available by request