G008-2836 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2836 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2836 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2836
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N-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

G008-2836

Molecular Formula

C19H20N2O5S2 (C19 H20 N2 O5 S2)

Compound Name

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

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-N-methyl-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CN(CC1Oc(cccc2)c2OC1)S(c(cc1)cc(N2)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C19H20N2O5S2/c1-21(11-13-12-25-16-4-2-3-5-17(16)26-13)28(23,24)14-6-7-18-15(10-14)20-19(22)8-9-27-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)/t13-/m0/s1

InChI Key

BTIALCGZBKPZHK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14975513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-3.07

Polar Surface Area

73.634

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

G008-2836 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-2836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2836?
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What is the minimum amount of G008-2836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2836
  • 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 G008-2836 available by request