E135-0782 Screening compound: 5-(3,4-dimethoxyphenyl)-3-[(2-ethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0782 Screening compound: 5-(3,4-dimethoxyphenyl)-3-[(2-ethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0782 Screening compound: 5-(3,4-dimethoxyphenyl)-3-[(2-ethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0782
5-(3,4-dimethoxyphenyl)-3-[(2-ethylpiperidino)carbonyl]-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

E135-0782

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

5-(3,4-dimethoxyphenyl)-3-[(2-ethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

5-(34-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)-2-methyl-2H-1lambda626-thiadiazine-11-dione

SMILES

CCC(CCCC1)N1C(C(N1C)=CC(c(cc2)cc(OC)c2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C20H27N3O5S/c1-5-15-8-6-7-11-23(15)20(24)17-13-16(21-29(25,26)22(17)2)14-9-10-18(27-3)19(12-14)28-4/h9-10,12-13,15H,5-8,11H2,1-4H3/t15-/m0/s1

InChI Key

SDTYYHSLCWGPAQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14840948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.75

Polar Surface Area

76.783

Acid Dissociation Constant (pKa)

26.62

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with E135-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0782?
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What is the minimum amount of E135-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0782
  • 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 E135-0782 available by request