D142-0113 Screening compound: diethyl (5-{[(4-methylphenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

D142-0113 Screening compound: diethyl (5-{[(4-methylphenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate
D142-0113 Screening compound: diethyl (5-{[(4-methylphenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D142-0113
diethyl (5-{[(4-methylphenyl)methyl]amino}-2-(4-nitrophenyl)-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

D142-0113

Molecular Formula

C21H24N3O6P (C21 H24 N3 O6 P)

Compound Name

diethyl (5-{[(4-methylphenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

IUPAC name

diethyl (5-{[(4-methylphenyl)methyl]amino}-2-(4-nitrophenyl)-13-oxazol-4-yl)phosphonate

SMILES

CCOP(c1c(NCc2ccc(C)cc2)oc(-c(cc2)ccc2[N+]([O-])=O)n1)(OCC)=O

InChI

InChI=1S/C21H24N3O6P/c1-4-28-31(27,29-5-2)21-20(22-14-16-8-6-15(3)7-9-16)30-19(23-21)17-10-12-18(13-11-17)24(25)26/h6-13,22H,4-5,14H2,1-3H3

InChI Key

CBAQESFGDIFGMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-4.06

Polar Surface Area

92.331

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D142-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D142-0113?
Check Price and Availability of D142-0113, 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 D142-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D142-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D142-0113
  • 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 D142-0113 available by request