S746-0002 Screening compound: 1-tert-butyl 6-ethyl 4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate

S746-0002 Screening compound: 1-tert-butyl 6-ethyl 4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate
S746-0002 Screening compound: 1-tert-butyl 6-ethyl 4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S746-0002
1-tert-butyl 6-ethyl 4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate

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

S746-0002

Molecular Formula

C17H30N2O5 (C17 H30 N2 O5)

Compound Name

1-tert-butyl 6-ethyl 4-oxo-1,5-diazacycloundecane-1,6-dicarboxylate

IUPAC name

1-tert-butyl 6-ethyl 4-oxo-15-diazacycloundecane-16-dicarboxylate

SMILES

CCOC(C(CCCCCN(CC1)C(OC(C)(C)C)=O)NC1=O)=O

InChI

InChI=1S/C17H30N2O5/c1-5-23-15(21)13-9-7-6-8-11-19(12-10-14(20)18-13)16(22)24-17(2,3)4/h13H,5-12H2,1-4H3,(H,18,20)/t13-/m0/s1

InChI Key

QQGHHLZISWNOAB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30461110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-2.76

Polar Surface Area

68.859

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

S746-0002 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S746-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S746-0002?
Check Price and Availability of S746-0002, 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 S746-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S746-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S746-0002
  • 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 S746-0002 available by request