G008-2821 Screening compound: N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2821 Screening compound: N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2821 Screening compound: N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2821
N-[(3-bromophenyl)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

G008-2821

Molecular Formula

C16H15BrN2O3S2 (C16 H15 BrN2 O3 S2)

Compound Name

N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-[(3-bromophenyl)methyl]-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

O=C1Nc(cc(cc2)S(NCc3cccc(Br)c3)(=O)=O)c2SCC1

InChI

InChI=1S/C16H15BrN2O3S2/c17-12-3-1-2-11(8-12)10-18-24(21,22)13-4-5-15-14(9-13)19-16(20)6-7-23-15/h1-5,8-9,18H,6-7,10H2,(H,19,20)

InChI Key

QWZKCACYLZHVMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.50

Polar Surface Area

67.149

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G008-2821 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-2821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2821?
Check Price and Availability of G008-2821, 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 G008-2821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2821
  • 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 G008-2821 available by request