E699-3201 Screening compound: 2-methyl-6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

E699-3201 Screening compound: 2-methyl-6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
E699-3201 Screening compound: 2-methyl-6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-3201
2-methyl-6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-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

E699-3201

Molecular Formula

C19H26N2O4S2 (C19 H26 N2 O4 S2)

Compound Name

2-methyl-6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-methyl-6-[4-(3-methylpiperidin-1-yl)-4-oxobutane-2-sulfonyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC(CC(N1CC(C)CCC1)=O)S(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O

InChI

InChI=1S/C19H26N2O4S2/c1-12-5-4-8-21(11-12)18(22)9-13(2)27(24,25)15-6-7-17-16(10-15)20-19(23)14(3)26-17/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,20,23)

InChI Key

DVNDZQWLHXGROY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-3.00

Polar Surface Area

70.943

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with E699-3201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-3201?
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What is the minimum amount of E699-3201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-3201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-3201
  • 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 E699-3201 available by request