E699-2455 Screening compound: N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

E699-2455 Screening compound: N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
E699-2455 Screening compound: N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-2455
N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

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

E699-2455

Molecular Formula

C19H19FN2O4S2 (C19 H19 FN2 O4 S2)

Compound Name

N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-3-[(3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]butanamide

SMILES

CC(CC(Nc1cc(F)c(C)cc1)=O)S(c(cc1)cc(N2)c1SCC2=O)(=O)=O

InChI

InChI=1S/C19H19FN2O4S2/c1-11-3-4-13(8-15(11)20)21-18(23)7-12(2)28(25,26)14-5-6-17-16(9-14)22-19(24)10-27-17/h3-6,8-9,12H,7,10H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1

InChI Key

ABTHKBCRJFNXKO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14910955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.12

Polar Surface Area

77.709

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with E699-2455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-2455?
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What is the minimum amount of E699-2455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-2455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-2455
  • 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 E699-2455 available by request