E135-0197 Screening compound: N~3~-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0197 Screening compound: N~3~-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0197 Screening compound: N~3~-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0197
N~3~-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-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

E135-0197

Molecular Formula

C19H23N5O3S (C19 H23 N5 O3 S)

Compound Name

N~3~-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CCCCn1ncc(NC(C(N2C)=CC(c3ccc(C)cc3)=NS2(=O)=O)=O)c1

InChI

InChI=1S/C19H23N5O3S/c1-4-5-10-24-13-16(12-20-24)21-19(25)18-11-17(22-28(26,27)23(18)3)15-8-6-14(2)7-9-15/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,25)

InChI Key

ICEWSXYCLSFEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

0.937

Water Solubility, LogSw

-3.37

Polar Surface Area

83.074

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E135-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0197?
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What is the minimum amount of E135-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0197
  • 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 E135-0197 available by request