D545-0155 Screening compound: methyl 2-[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-amido]benzoate

D545-0155 Screening compound: methyl 2-[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-amido]benzoate
D545-0155 Screening compound: methyl 2-[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D545-0155
methyl 2-[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-amido]benzoate

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

D545-0155

Molecular Formula

C27H23N5O4 (C27 H23 N5 O4)

Compound Name

methyl 2-[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-amido]benzoate

IUPAC name

methyl 2-[1-(3-phenyl-21-benzoxazol-5-yl)-5-propyl-1H-123-triazole-4-amido]benzoate

SMILES

CCCc1c(C(Nc(cccc2)c2C(OC)=O)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C27H23N5O4/c1-3-9-23-24(26(33)28-21-13-8-7-12-19(21)27(34)35-2)29-31-32(23)18-14-15-22-20(16-18)25(36-30-22)17-10-5-4-6-11-17/h4-8,10-16H,3,9H2,1-2H3,(H,28,33)

InChI Key

YHJUJEOQRFVMIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12967893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.67

Polar Surface Area

91.642

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

D545-0155 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 D545-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D545-0155?
Check Price and Availability of D545-0155, 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 D545-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D545-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D545-0155
  • 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 D545-0155 available by request