V005-4559 Screening compound: ethyl 1-(2-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]formamido}-3-phenylpropanoyl)piperidine-4-carboxylate

V005-4559 Screening compound: ethyl 1-(2-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]formamido}-3-phenylpropanoyl)piperidine-4-carboxylate
V005-4559 Screening compound: ethyl 1-(2-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]formamido}-3-phenylpropanoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4559
ethyl 1-(2-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]formamido}-3-phenylpropanoyl)piperidine-4-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

V005-4559

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

ethyl 1-(2-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]formamido}-3-phenylpropanoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{[5-(4-methylphenyl)-12-oxazol-3-yl]formamido}-3-phenylpropanoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(Cc1ccccc1)NC(c1noc(-c2ccc(C)cc2)c1)=O)=O)=O

InChI

InChI=1S/C28H31N3O5/c1-3-35-28(34)22-13-15-31(16-14-22)27(33)24(17-20-7-5-4-6-8-20)29-26(32)23-18-25(36-30-23)21-11-9-19(2)10-12-21/h4-12,18,22,24H,3,13-17H2,1-2H3,(H,29,32)/t24-/m0/s1

InChI Key

UUSDDEBAYCVKIS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19811821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.26

Polar Surface Area

83.219

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V005-4559 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V005-4559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4559?
Check Price and Availability of V005-4559, 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 V005-4559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4559
  • 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 V005-4559 available by request