D055-0068 Screening compound: dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl)phosphonate

D055-0068 Screening compound: dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl)phosphonate
D055-0068 Screening compound: dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D055-0068
dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl)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

D055-0068

Molecular Formula

C21H23N2O4P (C21 H23 N2 O4 P)

Compound Name

dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl)phosphonate

IUPAC name

dimethyl (5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-phenylethenyl]-13-oxazol-4-yl)phosphonate

SMILES

Cc1ccc(CNc(oc(/C=C/c2ccccc2)n2)c2P(OC)(OC)=O)cc1

InChI

InChI=1S/C21H23N2O4P/c1-16-9-11-18(12-10-16)15-22-20-21(28(24,25-2)26-3)23-19(27-20)14-13-17-7-5-4-6-8-17/h4-14,22H,15H2,1-3H3

InChI Key

WXQGTQNQGAHPRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08548833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.54

Polar Surface Area

57.841

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D055-0068 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D055-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D055-0068?
Check Price and Availability of D055-0068, 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 D055-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D055-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D055-0068
  • 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 D055-0068 available by request