8010-4995 Screening compound: 2-(diethoxyphosphoryl)phenyl 2-{[(cyclohex-3-en-1-yl)methyl][(oxolan-2-yl)methyl]amino}acetate

8010-4995 Screening compound: 2-(diethoxyphosphoryl)phenyl 2-{[(cyclohex-3-en-1-yl)methyl][(oxolan-2-yl)methyl]amino}acetate
8010-4995 Screening compound: 2-(diethoxyphosphoryl)phenyl 2-{[(cyclohex-3-en-1-yl)methyl][(oxolan-2-yl)methyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4995
2-(diethoxyphosphoryl)phenyl 2-{[(cyclohex-3-en-1-yl)methyl][(oxolan-2-yl)methyl]amino}acetate

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

8010-4995

Molecular Formula

C24H36NO6P (C24 H36 NO6 P)

Compound Name

2-(diethoxyphosphoryl)phenyl 2-{[(cyclohex-3-en-1-yl)methyl][(oxolan-2-yl)methyl]amino}acetate

IUPAC name

2-(diethoxyphosphoryl)phenyl 2-{[(cyclohex-3-en-1-yl)methyl][(oxolan-2-yl)methyl]amino}acetate

SMILES

CCOP(c(cccc1)c1OC(CN(CC1OCCC1)CC1CC=CCC1)=O)(OCC)=O

InChI

InChI=1S/C24H36NO6P/c1-3-29-32(27,30-4-2)23-15-9-8-14-22(23)31-24(26)19-25(18-21-13-10-16-28-21)17-20-11-6-5-7-12-20/h5-6,8-9,14-15,20-21H,3-4,7,10-13,16-19H2,1-2H3

InChI Key

CKKCCESDYTVDKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.75

Polar Surface Area

63.163

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with 8010-4995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4995?
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What is the minimum amount of 8010-4995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4995
  • 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 8010-4995 available by request