E135-1159 Screening compound: N~3~-butyl-2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-1159 Screening compound: N~3~-butyl-2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-1159 Screening compound: N~3~-butyl-2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1159
N~3~-butyl-2-methyl-1,1-dioxo-5-(2-thienyl)-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

E135-1159

Molecular Formula

C13H17N3O3S2 (C13 H17 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(C(N1C)=CC(c2cccs2)=NS1(=O)=O)=O

InChI

InChI=1S/C13H17N3O3S2/c1-3-4-7-14-13(17)11-9-10(12-6-5-8-20-12)15-21(18,19)16(11)2/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,17)

InChI Key

PTSMBRMUNWUPJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.82

Polar Surface Area

70.772

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with E135-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1159?
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What is the minimum amount of E135-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1159
  • 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 E135-1159 available by request