E135-0446 Screening compound: N~3~-(sec-butyl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0446 Screening compound: N~3~-(sec-butyl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0446 Screening compound: N~3~-(sec-butyl)-5-(2-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 E135-0446
N~3~-(sec-butyl)-5-(2-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

E135-0446

Molecular Formula

C16H21N3O4S (C16 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(C(N1C)=CC(c(cccc2)c2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C16H21N3O4S/c1-5-11(2)17-16(20)14-10-13(18-24(21,22)19(14)3)12-8-6-7-9-15(12)23-4/h6-11H,5H2,1-4H3,(H,17,20)/t11-/m0/s1

InChI Key

MYBNVOZHVQVHGD-NSHDSACASA-N

MDL Number (MFCD)

MFCD09783567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

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

1.585

Distribution Coefficient, logD

1.585

Water Solubility, LogSw

-2.57

Polar Surface Area

76.984

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with E135-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0446?
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What is the minimum amount of E135-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0446
  • 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 E135-0446 available by request