D055-0177 Screening compound: dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

D055-0177 Screening compound: dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl)phosphonate
D055-0177 Screening compound: dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D055-0177
dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(3-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

D055-0177

Molecular Formula

C18H17ClN3O6P (C18 H17 ClN3 O6 P)

Compound Name

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

IUPAC name

dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(3-nitrophenyl)-13-oxazol-4-yl)phosphonate

SMILES

COP(c1c(NCc(cccc2)c2Cl)oc(-c2cc([N+]([O-])=O)ccc2)n1)(OC)=O

InChI

InChI=1S/C18H17ClN3O6P/c1-26-29(25,27-2)18-17(20-11-13-6-3-4-9-15(13)19)28-16(21-18)12-7-5-8-14(10-12)22(23)24/h3-10,20H,11H2,1-2H3

InChI Key

IOQKGPFNLGTMKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07425925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.69

Polar Surface Area

91.557

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D055-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D055-0177?
Check Price and Availability of D055-0177, 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 D055-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D055-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D055-0177
  • 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 D055-0177 available by request