G008-2799 Screening compound: N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2799 Screening compound: N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2799 Screening compound: N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2799
N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-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

G008-2799

Molecular Formula

C20H27N3O3S3 (C20 H27 N3 O3 S3)

Compound Name

N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CCC(C)N(CCNS(c(cc1)cc(N2)c1SCCC2=O)(=O)=O)Cc1cccs1

InChI

InChI=1S/C20H27N3O3S3/c1-3-15(2)23(14-16-5-4-11-27-16)10-9-21-29(25,26)17-6-7-19-18(13-17)22-20(24)8-12-28-19/h4-7,11,13,15,21H,3,8-10,12,14H2,1-2H3,(H,22,24)/t15-/m0/s1

InChI Key

YYNHZKMBOYVZMM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14975498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.71

Polar Surface Area

71.190

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

G008-2799 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2799?
Check Price and Availability of G008-2799, 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 G008-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2799
  • 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 G008-2799 available by request