G613-0160 Screening compound: 5-(2H-1,3-benzodioxole-5-carbonyl)-N2-(2,5-dimethylphenyl)-3-(4-methylbenzenesulfonyl)thiophene-2,4-diamine

G613-0160 Screening compound: 5-(2H-1,3-benzodioxole-5-carbonyl)-N2-(2,5-dimethylphenyl)-3-(4-methylbenzenesulfonyl)thiophene-2,4-diamine
G613-0160 Screening compound: 5-(2H-1,3-benzodioxole-5-carbonyl)-N2-(2,5-dimethylphenyl)-3-(4-methylbenzenesulfonyl)thiophene-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G613-0160
5-(2H-1,3-benzodioxole-5-carbonyl)-N2-(2,5-dimethylphenyl)-3-(4-methylbenzenesulfonyl)thiophene-2,4-diamine

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

G613-0160

Molecular Formula

C27H24N2O5S2 (C27 H24 N2 O5 S2)

Compound Name

5-(2H-1,3-benzodioxole-5-carbonyl)-N2-(2,5-dimethylphenyl)-3-(4-methylbenzenesulfonyl)thiophene-2,4-diamine

IUPAC name

5-(2H-13-benzodioxole-5-carbonyl)-N2-(25-dimethylphenyl)-3-(4-methylbenzenesulfonyl)thiophene-24-diamine

SMILES

Cc(cc1)ccc1S(c1c(Nc2c(C)ccc(C)c2)sc(C(c(cc2)cc3c2OCO3)=O)c1N)(=O)=O

InChI

InChI=1S/C27H24N2O5S2/c1-15-5-9-19(10-6-15)36(31,32)26-23(28)25(24(30)18-8-11-21-22(13-18)34-14-33-21)35-27(26)29-20-12-16(2)4-7-17(20)3/h4-13,29H,14,28H2,1-3H3

InChI Key

JFSRGKOVLUMVEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

5.809

Water Solubility, LogSw

-5.45

Polar Surface Area

87.717

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G613-0160 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G613-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G613-0160?
Check Price and Availability of G613-0160, 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 G613-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G613-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G613-0160
  • 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 G613-0160 available by request