D142-0144 Screening compound: diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(diphenylmethyl)-1,3-oxazol-4-yl)phosphonate

D142-0144 Screening compound: diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(diphenylmethyl)-1,3-oxazol-4-yl)phosphonate
D142-0144 Screening compound: diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(diphenylmethyl)-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D142-0144
diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(diphenylmethyl)-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

D142-0144

Molecular Formula

C28H29N2O6P (C28 H29 N2 O6 P)

Compound Name

diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(diphenylmethyl)-1,3-oxazol-4-yl)phosphonate

IUPAC name

diethyl (5-{[(2H-13-benzodioxol-5-yl)methyl]amino}-2-(diphenylmethyl)-13-oxazol-4-yl)phosphonate

SMILES

CCOP(c1c(NCc(cc2)cc3c2OCO3)oc(C(c2ccccc2)c2ccccc2)n1)(OCC)=O

InChI

InChI=1S/C28H29N2O6P/c1-3-34-37(31,35-4-2)28-27(29-18-20-15-16-23-24(17-20)33-19-32-23)36-26(30-28)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,25,29H,3-4,18-19H2,1-2H3

InChI Key

UKBCNZINRQWJOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.13

Polar Surface Area

75.793

Acid Dissociation Constant (pKa)

17.57

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D142-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D142-0144?
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What is the minimum amount of D142-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D142-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D142-0144
  • 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 D142-0144 available by request