J049-2107 Screening compound: N~7~-(sec-butyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

J049-2107 Screening compound: N~7~-(sec-butyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
J049-2107 Screening compound: N~7~-(sec-butyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-2107
N~7~-(sec-butyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-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

J049-2107

Molecular Formula

C17H25N3O3S (C17 H25 N3 O3 S)

Compound Name

N~7~-(sec-butyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

IUPAC name

N-(butan-2-yl)-3-methyl-4-(2-methylpropyl)-11-dioxo-4H-1lambda624-benzothiadiazine-7-carboxamide

SMILES

CCC(C)NC(c(cc1)cc2c1N(CC(C)C)C(C)=NS2(=O)=O)=O

InChI

InChI=1S/C17H25N3O3S/c1-6-12(4)18-17(21)14-7-8-15-16(9-14)24(22,23)19-13(5)20(15)10-11(2)3/h7-9,11-12H,6,10H2,1-5H3,(H,18,21)/t12-/m0/s1

InChI Key

AHIYUTWFDXCVRQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD15079567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

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

2.422

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.81

Polar Surface Area

66.726

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

J049-2107 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with J049-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-2107?
Check Price and Availability of J049-2107, 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 J049-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-2107
  • 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 J049-2107 available by request