P074-3883 Screening compound: (2E)-3-phenyl-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}prop-2-enamide

P074-3883 Screening compound: (2E)-3-phenyl-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}prop-2-enamide
P074-3883 Screening compound: (2E)-3-phenyl-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P074-3883
(2E)-3-phenyl-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}prop-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

P074-3883

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

(2E)-3-phenyl-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-{phenyl[5-(pyrrolidin-1-yl)-134-oxadiazol-2-yl]methyl}prop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NC(c1nnc(N2CCCC2)o1)c1ccccc1

InChI

InChI=1S/C22H22N4O2/c27-19(14-13-17-9-3-1-4-10-17)23-20(18-11-5-2-6-12-18)21-24-25-22(28-21)26-15-7-8-16-26/h1-6,9-14,20H,7-8,15-16H2,(H,23,27)/t20-/m1/s1

InChI Key

XJIGYZFOYYNNLI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27562763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.64

Polar Surface Area

58.196

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

P074-3883 in Drug Discovery

Included in Screening Libraries

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 P074-3883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P074-3883?
Check Price and Availability of P074-3883, 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 P074-3883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P074-3883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P074-3883
  • 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 P074-3883 available by request