D142-0043 Screening compound: dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

D142-0043 Screening compound: dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate
D142-0043 Screening compound: dimethyl (5-{[(2-chlorophenyl)methyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D142-0043
dimethyl (5-{[(2-chlorophenyl)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

D142-0043

Molecular Formula

C18H17ClN3O6P (C18 H17 ClN3 O6 P)

Compound Name

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

IUPAC name

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

SMILES

COP(c1c(NCc(cccc2)c2Cl)oc(-c(cc2)ccc2[N+]([O-])=O)n1)(OC)=O

InChI

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

InChI Key

KXXYBTJSVQIQGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647189

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

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.78

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 D142-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D142-0043?
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What is the minimum amount of D142-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D142-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D142-0043
  • 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 D142-0043 available by request