S766-0120 Screening compound: ethyl 2,5-dimethyl-1-[2-oxo-2-(7-oxo-1,4,8-oxadiazecan-4-yl)ethyl]-1H-pyrrole-3-carboxylate

S766-0120 Screening compound: ethyl 2,5-dimethyl-1-[2-oxo-2-(7-oxo-1,4,8-oxadiazecan-4-yl)ethyl]-1H-pyrrole-3-carboxylate
S766-0120 Screening compound: ethyl 2,5-dimethyl-1-[2-oxo-2-(7-oxo-1,4,8-oxadiazecan-4-yl)ethyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S766-0120
ethyl 2,5-dimethyl-1-[2-oxo-2-(7-oxo-1,4,8-oxadiazecan-4-yl)ethyl]-1H-pyrrole-3-carboxylate

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

S766-0120

Molecular Formula

C18H27N3O5 (C18 H27 N3 O5)

Compound Name

ethyl 2,5-dimethyl-1-[2-oxo-2-(7-oxo-1,4,8-oxadiazecan-4-yl)ethyl]-1H-pyrrole-3-carboxylate

IUPAC name

n/a

SMILES

CCOC(c1c(C)n(CC(N(CC2)CCOCCNC2=O)=O)c(C)c1)=O

InChI

InChI=1S/C18H27N3O5/c1-4-26-18(24)15-11-13(2)21(14(15)3)12-17(23)20-7-5-16(22)19-6-9-25-10-8-20/h11H,4-10,12H2,1-3H3,(H,19,22)

InChI Key

VKQQNIDSKLCDDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.039

Distribution Coefficient, logD

0.039

Water Solubility, LogSw

-1.71

Polar Surface Area

72.569

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

S766-0120 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S766-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S766-0120?
Check Price and Availability of S766-0120, 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 S766-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S766-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S766-0120
  • 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 S766-0120 available by request