8017-2003 Screening compound: diethyl [7-ethoxy-7-oxo-1,6-di(2-pyridyl)-8-oxa-2,5-diaza-7lambda~5~-phosphadecyl]phosphonate

8017-2003 Screening compound: diethyl [7-ethoxy-7-oxo-1,6-di(2-pyridyl)-8-oxa-2,5-diaza-7lambda~5~-phosphadecyl]phosphonate
8017-2003 Screening compound: diethyl [7-ethoxy-7-oxo-1,6-di(2-pyridyl)-8-oxa-2,5-diaza-7lambda~5~-phosphadecyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2003
diethyl [7-ethoxy-7-oxo-1,6-di(2-pyridyl)-8-oxa-2,5-diaza-7lambda~5~-phosphadecyl]phosphonate

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

8017-2003

Molecular Formula

C22H36N4O6P2 (C22 H36 N4 O6 P2)

Compound Name

diethyl [7-ethoxy-7-oxo-1,6-di(2-pyridyl)-8-oxa-2,5-diaza-7lambda~5~-phosphadecyl]phosphonate

IUPAC name

diethyl {[(2-{[(diethoxyphosphoryl)(pyridin-2-yl)methyl]amino}ethyl)amino](pyridin-2-yl)methyl}phosphonate

SMILES

CCOP(C(c1ncccc1)NCCNC(c1ncccc1)P(OCC)(OCC)=O)(OCC)=O

InChI

InChI=1S/C22H36N4O6P2/c1-5-29-33(27,30-6-2)21(19-13-9-11-15-23-19)25-17-18-26-22(20-14-10-12-16-24-20)34(28,31-7-3)32-8-4/h9-16,21-22,25-26H,5-8,17-18H2,1-4H3

InChI Key

CUBULKKMANJKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.198

Distribution Coefficient, logD

0.198

Water Solubility, LogSw

-1.40

Polar Surface Area

100.686

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with 8017-2003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2003?
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What is the minimum amount of 8017-2003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2003
  • 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 8017-2003 available by request