D142-0041 Screening compound: dimethyl (5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

D142-0041 Screening compound: dimethyl (5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate
D142-0041 Screening compound: dimethyl (5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D142-0041
dimethyl (5-{[2-(4-methoxyphenyl)ethyl]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

D142-0041

Molecular Formula

C20H22N3O7P (C20 H22 N3 O7 P)

Compound Name

dimethyl (5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

IUPAC name

dimethyl (5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-13-oxazol-4-yl)phosphonate

SMILES

COc1ccc(CCNc(oc(-c(cc2)ccc2[N+]([O-])=O)n2)c2P(OC)(OC)=O)cc1

InChI

InChI=1S/C20H22N3O7P/c1-27-17-10-4-14(5-11-17)12-13-21-19-20(31(26,28-2)29-3)22-18(30-19)15-6-8-16(9-7-15)23(24)25/h4-11,21H,12-13H2,1-3H3

InChI Key

HCIIMQUZZPCXFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-2.91

Polar Surface Area

98.942

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D142-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D142-0041?
Check Price and Availability of D142-0041, 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 D142-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D142-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D142-0041
  • 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 D142-0041 available by request