D542-0133 Screening compound: N-[2-(diethylamino)-2-[4-(propan-2-yl)phenyl]ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

D542-0133 Screening compound: N-[2-(diethylamino)-2-[4-(propan-2-yl)phenyl]ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
D542-0133 Screening compound: N-[2-(diethylamino)-2-[4-(propan-2-yl)phenyl]ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D542-0133
N-[2-(diethylamino)-2-[4-(propan-2-yl)phenyl]ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

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

D542-0133

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

N-[2-(diethylamino)-2-[4-(propan-2-yl)phenyl]ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[2-(diethylamino)-2-[4-(propan-2-yl)phenyl]ethyl]-5-(23-dihydro-14-benzodioxin-6-yl)-12-oxazole-3-carboxamide

SMILES

CCN(CC)C(CNC(c1noc(-c(cc2)cc3c2OCCO3)c1)=O)c1ccc(C(C)C)cc1

InChI

InChI=1S/C27H33N3O4/c1-5-30(6-2)23(20-9-7-19(8-10-20)18(3)4)17-28-27(31)22-16-25(34-29-22)21-11-12-24-26(15-21)33-14-13-32-24/h7-12,15-16,18,23H,5-6,13-14,17H2,1-4H3,(H,28,31)/t23-/m0/s1

InChI Key

OHBBRVSRHSZUOY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18078076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-4.26

Polar Surface Area

64.283

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

D542-0133 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D542-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D542-0133?
Check Price and Availability of D542-0133, 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 D542-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D542-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D542-0133
  • 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 D542-0133 available by request