0991-0004 Screening compound: bis(propan-2-yl) [(1Z)-2-(adamantan-1-yl)-1-(hydroxyimino)ethyl]phosphonate

0991-0004 Screening compound: bis(propan-2-yl) [(1Z)-2-(adamantan-1-yl)-1-(hydroxyimino)ethyl]phosphonate
0991-0004 Screening compound: bis(propan-2-yl) [(1Z)-2-(adamantan-1-yl)-1-(hydroxyimino)ethyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0991-0004
bis(propan-2-yl) [(1Z)-2-(adamantan-1-yl)-1-(hydroxyimino)ethyl]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

0991-0004

Molecular Formula

C18H32NO4P (C18 H32 NO4 P)

Compound Name

bis(propan-2-yl) [(1Z)-2-(adamantan-1-yl)-1-(hydroxyimino)ethyl]phosphonate

IUPAC name

bis(propan-2-yl) [(1Z)-2-(adamantan-1-yl)-1-(hydroxyimino)ethyl]phosphonate

SMILES

CC(C)OP(/C(/CC1(CC(C2)C3)CC3CC2C1)=N\O)(OC(C)C)=O

InChI

InChI=1S/C18H32NO4P/c1-12(2)22-24(21,23-13(3)4)17(19-20)11-18-8-14-5-15(9-18)7-16(6-14)10-18/h12-16,20H,5-11H2,1-4H3

InChI Key

DKRUCQFJZKRFMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-3.99

Polar Surface Area

60.994

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.40

References: we are preparing a list of scientific research reports with 0991-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0991-0004?
Check Price and Availability of 0991-0004, 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 0991-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0991-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0991-0004
  • 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 0991-0004 available by request