V006-0405 Screening compound: ethyl 1-(2-methylphenyl)-5-[3-(5-phenyl-1,3,4-oxadiazole-2-amido)phenyl]-1H-pyrazole-3-carboxylate

V006-0405 Screening compound: ethyl 1-(2-methylphenyl)-5-[3-(5-phenyl-1,3,4-oxadiazole-2-amido)phenyl]-1H-pyrazole-3-carboxylate
V006-0405 Screening compound: ethyl 1-(2-methylphenyl)-5-[3-(5-phenyl-1,3,4-oxadiazole-2-amido)phenyl]-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0405
ethyl 1-(2-methylphenyl)-5-[3-(5-phenyl-1,3,4-oxadiazole-2-amido)phenyl]-1H-pyrazole-3-carboxylate

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

V006-0405

Molecular Formula

C28H23N5O4 (C28 H23 N5 O4)

Compound Name

ethyl 1-(2-methylphenyl)-5-[3-(5-phenyl-1,3,4-oxadiazole-2-amido)phenyl]-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(2-methylphenyl)-5-[3-(5-phenyl-134-oxadiazole-2-amido)phenyl]-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c2cc(NC(c3nnc(-c4ccccc4)o3)=O)ccc2)nn1-c1c(C)cccc1)=O

InChI

InChI=1S/C28H23N5O4/c1-3-36-28(35)22-17-24(33(32-22)23-15-8-7-10-18(23)2)20-13-9-14-21(16-20)29-25(34)27-31-30-26(37-27)19-11-5-4-6-12-19/h4-17H,3H2,1-2H3,(H,29,34)

InChI Key

UFJZZZHGZDYWAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956698

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.52

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

5.408

Distribution Coefficient, logD

5.408

Water Solubility, LogSw

-5.39

Polar Surface Area

87.121

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V006-0405 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V006-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0405?
Check Price and Availability of V006-0405, 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 V006-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0405
  • 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 V006-0405 available by request