1575-0012 Screening compound: diethyl [(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)(diethoxyphosphoryl)methyl]phosphonate

1575-0012 Screening compound: diethyl [(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)(diethoxyphosphoryl)methyl]phosphonate
1575-0012 Screening compound: diethyl [(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)(diethoxyphosphoryl)methyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1575-0012
diethyl [(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)(diethoxyphosphoryl)methyl]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

1575-0012

Molecular Formula

C23H40O7P2 (C23 H40 O7 P2)

Compound Name

diethyl [(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)(diethoxyphosphoryl)methyl]phosphonate

IUPAC name

diethyl [(35-di-tert-butyl-4-oxocyclohexa-25-dien-1-ylidene)(diethoxyphosphoryl)methyl]phosphonate

SMILES

CCOP(C(P(OCC)(OCC)=O)=C(C=C1C(C)(C)C)C=C(C(C)(C)C)C1=O)(OCC)=O

InChI

InChI=1S/C23H40O7P2/c1-11-27-31(25,28-12-2)21(32(26,29-13-3)30-14-4)17-15-18(22(5,6)7)20(24)19(16-17)23(8,9)10/h15-16H,11-14H2,1-10H3

InChI Key

YYVQGMBTHJSGCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00337287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.68

Polar Surface Area

74.572

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

References: we are preparing a list of scientific research reports with 1575-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1575-0012?
Check Price and Availability of 1575-0012, 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 1575-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1575-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1575-0012
  • 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 1575-0012 available by request