D151-0748 Screening compound: 2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile

D151-0748 Screening compound: 2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
D151-0748 Screening compound: 2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0748
2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile

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

D151-0748

Molecular Formula

C18H19N3O2 (C18 H19 N3 O2)

Compound Name

2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(1E)-2-(4-ethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-13-oxazole-4-carbonitrile

SMILES

CCOc1ccc(/C=C/c2nc(C#N)c(N3CCCC3)o2)cc1

InChI

InChI=1S/C18H19N3O2/c1-2-22-15-8-5-14(6-9-15)7-10-17-20-16(13-19)18(23-17)21-11-3-4-12-21/h5-10H,2-4,11-12H2,1H3

InChI Key

SMHHQYFRWJZVDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-3.99

Polar Surface Area

46.910

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D151-0748 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D151-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0748?
Check Price and Availability of D151-0748, 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 D151-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0748
  • 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 D151-0748 available by request