8015-8719 Screening compound: diphenyl [4-(tert-butyl)-2-hydroxy-3,6-dioxo-1,4-cyclohexadienyl]phosphonate

8015-8719 Screening compound: diphenyl [4-(tert-butyl)-2-hydroxy-3,6-dioxo-1,4-cyclohexadienyl]phosphonate
8015-8719 Screening compound: diphenyl [4-(tert-butyl)-2-hydroxy-3,6-dioxo-1,4-cyclohexadienyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8719
diphenyl [4-(tert-butyl)-2-hydroxy-3,6-dioxo-1,4-cyclohexadienyl]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

8015-8719

Molecular Formula

C22H21O6P (C22 H21 O6 P)

Compound Name

diphenyl [4-(tert-butyl)-2-hydroxy-3,6-dioxo-1,4-cyclohexadienyl]phosphonate

IUPAC name

diphenyl (4-tert-butyl-2-hydroxy-36-dioxocyclohexa-14-dien-1-yl)phosphonate

SMILES

CC(C)(C)C(C(C(O)=C1P(Oc2ccccc2)(Oc2ccccc2)=O)=O)=CC1=O

InChI

InChI=1S/C22H21O6P/c1-22(2,3)17-14-18(23)21(20(25)19(17)24)29(26,27-15-10-6-4-7-11-15)28-16-12-8-5-9-13-16/h4-14,25H,1-3H3

InChI Key

JKOHGQJUYPBERO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

-0.444

Water Solubility, LogSw

-3.76

Polar Surface Area

72.398

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8015-8719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8719?
Check Price and Availability of 8015-8719, 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 8015-8719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8719
  • 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 8015-8719 available by request