G856-4653 Screening compound: butyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate

G856-4653 Screening compound: butyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate
G856-4653 Screening compound: butyl 4-[4-(thiophen-2-yl)oxane-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4653
butyl 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

G856-4653

Molecular Formula

C21H25NO4S (C21 H25 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-2-3-12-26-19(23)16-6-8-17(9-7-16)22-20(24)21(10-13-25-14-11-21)18-5-4-15-27-18/h4-9,15H,2-3,10-14H2,1H3,(H,22,24)

InChI Key

MDETWZATHZUAAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.127

Water Solubility, LogSw

-4.95

Polar Surface Area

53.225

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G856-4653 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with G856-4653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4653?
Check Price and Availability of G856-4653, 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 G856-4653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4653
  • 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 G856-4653 available by request