D323-0386 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

D323-0386 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one
D323-0386 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0386
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-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

D323-0386

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

IUPAC name

1-[4-(13-benzoxazol-2-yl)piperidin-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]propan-1-one

SMILES

CC(C)c(ccc(C)c1)c1OC(C)C(N(CC1)CCC1c1nc(cccc2)c2o1)=O

InChI

InChI=1S/C25H30N2O3/c1-16(2)20-10-9-17(3)15-23(20)29-18(4)25(28)27-13-11-19(12-14-27)24-26-21-7-5-6-8-22(21)30-24/h5-10,15-16,18-19H,11-14H2,1-4H3/t18-/m0/s1

InChI Key

SQXFQQMPNHMCQP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08545830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-5.43

Polar Surface Area

40.573

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D323-0386 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D323-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0386?
Check Price and Availability of D323-0386, 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 D323-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0386
  • 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 D323-0386 available by request