E135-0421 Screening compound: 3-[(2,6-dimethylpiperidino)carbonyl]-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0421 Screening compound: 3-[(2,6-dimethylpiperidino)carbonyl]-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0421 Screening compound: 3-[(2,6-dimethylpiperidino)carbonyl]-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0421
3-[(2,6-dimethylpiperidino)carbonyl]-5-(2-methoxyphenyl)-2-methyl-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

E135-0421

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

3-[(2,6-dimethylpiperidino)carbonyl]-5-(2-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

3-(26-dimethylpiperidine-1-carbonyl)-5-(2-methoxyphenyl)-2-methyl-2H-1lambda626-thiadiazine-11-dione

SMILES

CC(CCCC1C)N1C(C(N1C)=CC(c(cccc2)c2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C19H25N3O4S/c1-13-8-7-9-14(2)22(13)19(23)17-12-16(20-27(24,25)21(17)3)15-10-5-6-11-18(15)26-4/h5-6,10-14H,7-9H2,1-4H3

InChI Key

GSCXUMBJVYMITP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-2.75

Polar Surface Area

67.730

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

E135-0421 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E135-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0421?
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What is the minimum amount of E135-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0421
  • 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 E135-0421 available by request