G115-0149 Screening compound: N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G115-0149 Screening compound: N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G115-0149 Screening compound: N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0149
N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-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

G115-0149

Molecular Formula

C21H23N3O5S3 (C21 H23 N3 O5 S3)

Compound Name

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

IUPAC name

N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

[O-][N+](c1cc(NS(c(cc2)cc(N3)c2SCCC3=O)(=O)=O)cc(SC2CCCCC2)c1)=O

InChI

InChI=1S/C21H23N3O5S3/c25-21-8-9-30-20-7-6-18(13-19(20)22-21)32(28,29)23-14-10-15(24(26)27)12-17(11-14)31-16-4-2-1-3-5-16/h6-7,10-13,16,23H,1-5,8-9H2,(H,22,25)

InChI Key

RRPSTYWRNXURBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-4.69

Polar Surface Area

99.342

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G115-0149 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with G115-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0149?
Check Price and Availability of G115-0149, 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 G115-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0149
  • 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 G115-0149 available by request