V016-4559 Screening compound: methyl 2-{[N-cyclohexyl-1-(4-ethylphenyl)formamido]methyl}-1,3-oxazole-4-carboxylate

V016-4559 Screening compound: methyl 2-{[N-cyclohexyl-1-(4-ethylphenyl)formamido]methyl}-1,3-oxazole-4-carboxylate
V016-4559 Screening compound: methyl 2-{[N-cyclohexyl-1-(4-ethylphenyl)formamido]methyl}-1,3-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4559
methyl 2-{[N-cyclohexyl-1-(4-ethylphenyl)formamido]methyl}-1,3-oxazole-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

V016-4559

Molecular Formula

C21H26N2O4 (C21 H26 N2 O4)

Compound Name

methyl 2-{[N-cyclohexyl-1-(4-ethylphenyl)formamido]methyl}-1,3-oxazole-4-carboxylate

IUPAC name

methyl 2-{[N-cyclohexyl-1-(4-ethylphenyl)formamido]methyl}-13-oxazole-4-carboxylate

SMILES

CCc(cc1)ccc1C(N(Cc1nc(C(OC)=O)co1)C1CCCCC1)=O

InChI

InChI=1S/C21H26N2O4/c1-3-15-9-11-16(12-10-15)20(24)23(17-7-5-4-6-8-17)13-19-22-18(14-27-19)21(25)26-2/h9-12,14,17H,3-8,13H2,1-2H3

InChI Key

DKCNMYOZJCHJRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19726585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.09

Polar Surface Area

55.002

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

V016-4559 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-4559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4559?
Check Price and Availability of V016-4559, 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 V016-4559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4559
  • 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 V016-4559 available by request