D754-0012 Screening compound: N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide

D754-0012 Screening compound: N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide
D754-0012 Screening compound: N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0012
N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide

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

D754-0012

Molecular Formula

C27H25N5O3 (C27 H25 N5 O3)

Compound Name

N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]propanamide

SMILES

O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H](CN(Cc1c2cccc1)C2=O)c1ccccc1

InChI

InChI=1S/C27H25N5O3/c33-24(10-11-25-30-26(31-35-25)20-12-14-28-15-13-20)29-16-22(19-6-2-1-3-7-19)18-32-17-21-8-4-5-9-23(21)27(32)34/h1-9,12-15,22H,10-11,16-18H2,(H,29,33)/t22-/m0/s1

InChI Key

DWLHZMJVUKPRHG-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.46

Polar Surface Area

81.856

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

D754-0012 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D754-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0012?
Check Price and Availability of D754-0012, 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 D754-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0012
  • 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 D754-0012 available by request