G008-1826 Screening compound: N,N-diethyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-1826 Screening compound: N,N-diethyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-1826 Screening compound: N,N-diethyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1826
N,N-diethyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

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

G008-1826

Molecular Formula

C14H20N2O3S2 (C14 H20 N2 O3 S2)

Compound Name

N,N-diethyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

NN-diethyl-3-methyl-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(N2)c1SCC(C)C2=O)(=O)=O

InChI

InChI=1S/C14H20N2O3S2/c1-4-16(5-2)21(18,19)11-6-7-13-12(8-11)15-14(17)10(3)9-20-13/h6-8,10H,4-5,9H2,1-3H3,(H,15,17)/t10-/m1/s1

InChI Key

MPGZUPGBETUMCS-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14974990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-3.00

Polar Surface Area

56.543

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G008-1826 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1826?
Check Price and Availability of G008-1826, 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 G008-1826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1826
  • 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 G008-1826 available by request