8019-1860 Screening compound: ethyl 3-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]formamido}-3-(3-nitrophenyl)propanoate

8019-1860 Screening compound: ethyl 3-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]formamido}-3-(3-nitrophenyl)propanoate
8019-1860 Screening compound: ethyl 3-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]formamido}-3-(3-nitrophenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1860
ethyl 3-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]formamido}-3-(3-nitrophenyl)propanoate

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

8019-1860

Molecular Formula

C22H21N3O7 (C22 H21 N3 O7)

Compound Name

ethyl 3-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]formamido}-3-(3-nitrophenyl)propanoate

IUPAC name

ethyl 3-{[3-(4-methoxyphenyl)-12-oxazol-5-yl]formamido}-3-(3-nitrophenyl)propanoate

SMILES

CCOC(CC(c1cccc([N+]([O-])=O)c1)NC(c1cc(-c(cc2)ccc2OC)no1)=O)=O

InChI

InChI=1S/C22H21N3O7/c1-3-31-21(26)13-18(15-5-4-6-16(11-15)25(28)29)23-22(27)20-12-19(24-32-20)14-7-9-17(30-2)10-8-14/h4-12,18H,3,13H2,1-2H3,(H,23,27)/t18-/m0/s1

InChI Key

ZMYCIFVNGYKZNZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09064299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.19

Polar Surface Area

106.901

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

8019-1860 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1860?
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What is the minimum amount of 8019-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1860
  • 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 8019-1860 available by request