G856-4512 Screening compound: N'-(3-phenylpropyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

G856-4512 Screening compound: N'-(3-phenylpropyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
G856-4512 Screening compound: N'-(3-phenylpropyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4512
N'-(3-phenylpropyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

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

G856-4512

Molecular Formula

C21H22N2O4S3 (C21 H22 N2 O4 S3)

Compound Name

N'-(3-phenylpropyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

IUPAC name

N'-(3-phenylpropyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

SMILES

O=C(C(NCC(c1cccs1)S(c1cccs1)(=O)=O)=O)NCCCc1ccccc1

InChI

InChI=1S/C21H22N2O4S3/c24-20(22-12-4-9-16-7-2-1-3-8-16)21(25)23-15-18(17-10-5-13-28-17)30(26,27)19-11-6-14-29-19/h1-3,5-8,10-11,13-14,18H,4,9,12,15H2,(H,22,24)(H,23,25)/t18-/m0/s1

InChI Key

BGOIWVSUQRQMQR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07192247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.49

Polar Surface Area

80.716

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

G856-4512 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G856-4512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4512?
Check Price and Availability of G856-4512, 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 G856-4512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4512
  • 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 G856-4512 available by request