E135-0271 Screening compound: N~3~-allyl-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0271 Screening compound: N~3~-allyl-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0271 Screening compound: N~3~-allyl-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0271
N~3~-allyl-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

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

E135-0271

Molecular Formula

C15H17N3O4S (C15 H17 N3 O4 S)

Compound Name

N~3~-allyl-5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

5-(4-methoxyphenyl)-2-methyl-11-dioxo-N-(prop-2-en-1-yl)-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(NCC=C)=O)=CC(c(cc1)ccc1OC)=N1)S1(=O)=O

InChI

InChI=1S/C15H17N3O4S/c1-4-9-16-15(19)14-10-13(17-23(20,21)18(14)2)11-5-7-12(22-3)8-6-11/h4-8,10H,1,9H2,2-3H3,(H,16,19)

InChI Key

FSERBWPMTUJVMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.365

Distribution Coefficient, logD

1.359

Water Solubility, LogSw

-2.28

Polar Surface Area

77.297

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E135-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0271?
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What is the minimum amount of E135-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0271
  • 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 E135-0271 available by request