D142-0037 Screening compound: dimethyl (5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate

D142-0037 Screening compound: dimethyl (5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate
D142-0037 Screening compound: dimethyl (5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound D142-0037
dimethyl (5-{[2-(3,4-dimethoxyphenyl)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

D142-0037

Molecular Formula

C21H24N3O8P (C21 H24 N3 O8 P)

Compound Name

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

IUPAC name

dimethyl (5-{[2-(34-dimethoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-13-oxazol-4-yl)phosphonate

SMILES

COc(ccc(CCNc(oc(-c(cc1)ccc1[N+]([O-])=O)n1)c1P(OC)(OC)=O)c1)c1OC

InChI

InChI=1S/C21H24N3O8P/c1-28-17-10-5-14(13-18(17)29-2)11-12-22-20-21(33(27,30-3)31-4)23-19(32-20)15-6-8-16(9-7-15)24(25)26/h5-10,13,22H,11-12H2,1-4H3

InChI Key

LNXLJZDXFABFRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.72

Polar Surface Area

106.659

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D142-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D142-0037?
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What is the minimum amount of D142-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D142-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D142-0037
  • 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 D142-0037 available by request