8016-4650 Screening compound: pentyl 3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

8016-4650 Screening compound: pentyl 3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
8016-4650 Screening compound: pentyl 3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4650
pentyl 3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-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

8016-4650

Molecular Formula

C20H31NO5 (C20 H31 NO5)

Compound Name

pentyl 3-(3-isopropoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

IUPAC name

pentyl 4-oxo-3-[3-(propan-2-yloxy)propyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxylate

SMILES

CCCCCOC(C(C1C(N(CCCOC(C)C)C2)=O)C3OC12C=C3)=O

InChI

InChI=1S/C20H31NO5/c1-4-5-6-11-25-19(23)16-15-8-9-20(26-15)13-21(18(22)17(16)20)10-7-12-24-14(2)3/h8-9,14-17H,4-7,10-13H2,1-3H3

InChI Key

RFMPETSDZRKPCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-2.89

Polar Surface Area

53.046

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with 8016-4650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4650?
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What is the minimum amount of 8016-4650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4650
  • 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 8016-4650 available by request