E699-3167 Screening compound: N-(4-chloro-2-methylphenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

E699-3167 Screening compound: N-(4-chloro-2-methylphenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
E699-3167 Screening compound: N-(4-chloro-2-methylphenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-3167
N-(4-chloro-2-methylphenyl)-3-[(2-methyl-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

E699-3167

Molecular Formula

C20H21ClN2O4S2 (C20 H21 ClN2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc(cc1)c(C)cc1Cl)=O)S(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O

InChI

InChI=1S/C20H21ClN2O4S2/c1-11-8-14(21)4-6-16(11)22-19(24)9-12(2)29(26,27)15-5-7-18-17(10-15)23-20(25)13(3)28-18/h4-8,10,12-13H,9H2,1-3H3,(H,22,24)(H,23,25)

InChI Key

JPIPVMJVTWQJTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.98

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

3.700

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-3.98

Polar Surface Area

77.068

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E699-3167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-3167?
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What is the minimum amount of E699-3167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-3167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-3167
  • 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 E699-3167 available by request