D323-0325 Screening compound: (2E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one

D323-0325 Screening compound: (2E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
D323-0325 Screening compound: (2E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0325
(2E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one

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

D323-0325

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

(2E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-[4-(13-benzoxazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one

SMILES

Cc1ccc(/C=C/C(N(CC2)CCC2c2nc(cccc3)c3o2)=O)cc1

InChI

InChI=1S/C22H22N2O2/c1-16-6-8-17(9-7-16)10-11-21(25)24-14-12-18(13-15-24)22-23-19-4-2-3-5-20(19)26-22/h2-11,18H,12-15H2,1H3

InChI Key

CMAFKOZTXYXWLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.814

Water Solubility, LogSw

-4.60

Polar Surface Area

33.170

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D323-0325 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D323-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0325?
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What is the minimum amount of D323-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0325
  • 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 D323-0325 available by request