D545-0159 Screening compound: N-(4-acetamidophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide

D545-0159 Screening compound: N-(4-acetamidophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
D545-0159 Screening compound: N-(4-acetamidophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D545-0159
N-(4-acetamidophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-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

D545-0159

Molecular Formula

C27H24N6O3 (C27 H24 N6 O3)

Compound Name

N-(4-acetamidophenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(4-acetamidophenyl)-1-(3-phenyl-21-benzoxazol-5-yl)-5-propyl-1H-123-triazole-4-carboxamide

SMILES

CCCc1c(C(Nc(cc2)ccc2NC(C)=O)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C27H24N6O3/c1-3-7-24-25(27(35)29-20-12-10-19(11-13-20)28-17(2)34)30-32-33(24)21-14-15-23-22(16-21)26(36-31-23)18-8-5-4-6-9-18/h4-6,8-16H,3,7H2,1-2H3,(H,28,34)(H,29,35)

InChI Key

IPOBZRYPAOGTOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12967896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.60

Polar Surface Area

94.428

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

D545-0159 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D545-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D545-0159?
Check Price and Availability of D545-0159, 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 D545-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D545-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D545-0159
  • 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 D545-0159 available by request