E800-3941 Screening compound: N-(3-ethylphenyl)-1-{[5-methyl-2-(4-propoxyphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidinecarboxamide

E800-3941 Screening compound: N-(3-ethylphenyl)-1-{[5-methyl-2-(4-propoxyphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidinecarboxamide
E800-3941 Screening compound: N-(3-ethylphenyl)-1-{[5-methyl-2-(4-propoxyphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E800-3941
N-(3-ethylphenyl)-1-{[5-methyl-2-(4-propoxyphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidinecarboxamide

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

E800-3941

Molecular Formula

C28H35N3O3 (C28 H35 N3 O3)

Compound Name

N-(3-ethylphenyl)-1-{[5-methyl-2-(4-propoxyphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidinecarboxamide

IUPAC name

N-(3-ethylphenyl)-1-{[5-methyl-2-(4-propoxyphenyl)-13-oxazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

CCCOc(cc1)ccc1-c1nc(CN(CC2)CCC2C(Nc2cc(CC)ccc2)=O)c(C)o1

InChI

InChI=1S/C28H35N3O3/c1-4-17-33-25-11-9-23(10-12-25)28-30-26(20(3)34-28)19-31-15-13-22(14-16-31)27(32)29-24-8-6-7-21(5-2)18-24/h6-12,18,22H,4-5,13-17,19H2,1-3H3,(H,29,32)

InChI Key

BMDOACYBFQLGTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-5.29

Polar Surface Area

52.602

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

E800-3941 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 E800-3941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E800-3941?
Check Price and Availability of E800-3941, 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 E800-3941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E800-3941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E800-3941
  • 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 E800-3941 available by request