G856-4652 Screening compound: ethyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate

G856-4652 Screening compound: ethyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate
G856-4652 Screening compound: ethyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4652
ethyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate

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

G856-4652

Molecular Formula

C19H21NO4S (C19 H21 NO4 S)

Compound Name

ethyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate

IUPAC name

ethyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1(CCOCC1)c1cccs1)=O)=O

InChI

InChI=1S/C19H21NO4S/c1-2-24-17(21)14-5-7-15(8-6-14)20-18(22)19(9-11-23-12-10-19)16-4-3-13-25-16/h3-8,13H,2,9-12H2,1H3,(H,20,22)

InChI Key

YNFMOOZCLSBVFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.05

Polar Surface Area

52.931

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G856-4652 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G856-4652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4652?
Check Price and Availability of G856-4652, 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 G856-4652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4652
  • 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 G856-4652 available by request