E135-0815 Screening compound: 5-(3,4-dimethoxyphenyl)-2-methyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0815 Screening compound: 5-(3,4-dimethoxyphenyl)-2-methyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0815 Screening compound: 5-(3,4-dimethoxyphenyl)-2-methyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0815
5-(3,4-dimethoxyphenyl)-2-methyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

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

E135-0815

Molecular Formula

C23H31N3O5S (C23 H31 N3 O5 S)

Compound Name

5-(3,4-dimethoxyphenyl)-2-methyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

5-(34-dimethoxyphenyl)-2-methyl-3-{133-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl}-2H-1lambda626-thiadiazine-11-dione

SMILES

CC(C1)(C2)CC(C)(C)CC1N2C(C(N1C)=CC(c(cc2)cc(OC)c2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C23H31N3O5S/c1-22(2)11-16-12-23(3,13-22)14-26(16)21(27)18-10-17(24-32(28,29)25(18)4)15-7-8-19(30-5)20(9-15)31-6/h7-10,16H,11-14H2,1-6H3

InChI Key

VCWBHFBQKHUVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.37

Polar Surface Area

76.822

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

E135-0815 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E135-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0815?
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What is the minimum amount of E135-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0815
  • 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 E135-0815 available by request