P074-3033 Screening compound: (2E)-N-{1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl}-3-phenylprop-2-enamide

P074-3033 Screening compound: (2E)-N-{1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl}-3-phenylprop-2-enamide
P074-3033 Screening compound: (2E)-N-{1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P074-3033
(2E)-N-{1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl}-3-phenylprop-2-enamide

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

P074-3033

Molecular Formula

C25H28N4O2 (C25 H28 N4 O2)

Compound Name

(2E)-N-{1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{1-[5-(azepan-1-yl)-134-oxadiazol-2-yl]-2-phenylethyl}-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NC(Cc1ccccc1)c1nnc(N2CCCCCC2)o1

InChI

InChI=1S/C25H28N4O2/c30-23(16-15-20-11-5-3-6-12-20)26-22(19-21-13-7-4-8-14-21)24-27-28-25(31-24)29-17-9-1-2-10-18-29/h3-8,11-16,22H,1-2,9-10,17-19H2,(H,26,30)/t22-/m0/s1

InChI Key

JCVRUTCIDIPZSY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27562688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.560

Water Solubility, LogSw

-4.32

Polar Surface Area

58.439

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

P074-3033 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with P074-3033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P074-3033?
Check Price and Availability of P074-3033, 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 P074-3033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P074-3033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P074-3033
  • 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 P074-3033 available by request