D443-1856 Screening compound: 5-methyl-N-[4-(morpholin-4-yl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

D443-1856 Screening compound: 5-methyl-N-[4-(morpholin-4-yl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
D443-1856 Screening compound: 5-methyl-N-[4-(morpholin-4-yl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1856
5-methyl-N-[4-(morpholin-4-yl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-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

D443-1856

Molecular Formula

C27H24N6O3 (C27 H24 N6 O3)

Compound Name

5-methyl-N-[4-(morpholin-4-yl)phenyl]-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-methyl-N-[4-(morpholin-4-yl)phenyl]-1-(3-phenyl-21-benzoxazol-5-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2N2CCOCC2)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C27H24N6O3/c1-18-25(27(34)28-20-7-9-21(10-8-20)32-13-15-35-16-14-32)29-31-33(18)22-11-12-24-23(17-22)26(36-30-24)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,28,34)

InChI Key

HRJFDNJFNDMGOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10082036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.22

Polar Surface Area

83.017

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D443-1856 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D443-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1856?
Check Price and Availability of D443-1856, 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 D443-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1856
  • 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 D443-1856 available by request