J049-1572 Screening compound: 4-butyl-3-methyl-7-(piperidinocarbonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

J049-1572 Screening compound: 4-butyl-3-methyl-7-(piperidinocarbonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
J049-1572 Screening compound: 4-butyl-3-methyl-7-(piperidinocarbonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-1572
4-butyl-3-methyl-7-(piperidinocarbonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-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

J049-1572

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

4-butyl-3-methyl-7-(piperidinocarbonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-butyl-3-methyl-7-(piperidine-1-carbonyl)-4H-1lambda624-benzothiadiazine-11-dione

SMILES

CCCCN(C(C)=N1)c(ccc(C(N2CCCCC2)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C18H25N3O3S/c1-3-4-12-21-14(2)19-25(23,24)17-13-15(8-9-16(17)21)18(22)20-10-6-5-7-11-20/h8-9,13H,3-7,10-12H2,1-2H3

InChI Key

RXXMDPMJLVAVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-2.75

Polar Surface Area

59.226

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

J049-1572 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J049-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-1572?
Check Price and Availability of J049-1572, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J049-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-1572
  • 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 J049-1572 available by request