G008-2718 Screening compound: N-[(furan-2-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2718 Screening compound: N-[(furan-2-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2718 Screening compound: N-[(furan-2-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2718
N-[(furan-2-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-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

G008-2718

Molecular Formula

C21H27N3O5S2 (C21 H27 N3 O5 S2)

Compound Name

N-[(furan-2-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-[(furan-2-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

O=C1Nc(cc(cc2)S(N(CCCN3CCOCC3)Cc3ccco3)(=O)=O)c2SCC1

InChI

InChI=1S/C21H27N3O5S2/c25-21-6-14-30-20-5-4-18(15-19(20)22-21)31(26,27)24(16-17-3-1-11-29-17)8-2-7-23-9-12-28-13-10-23/h1,3-5,11,15H,2,6-10,12-14,16H2,(H,22,25)

InChI Key

VBIUVKCIBJVSPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.857

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-2.72

Polar Surface Area

76.112

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G008-2718 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G008-2718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2718?
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What is the minimum amount of G008-2718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2718
  • 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 G008-2718 available by request