V017-3816 Screening compound: N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}cyclohexanecarboxamide

V017-3816 Screening compound: N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}cyclohexanecarboxamide
V017-3816 Screening compound: N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3816
N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}cyclohexanecarboxamide

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

V017-3816

Molecular Formula

C25H34N2O6 (C25 H34 N2 O6)

Compound Name

N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}cyclohexanecarboxamide

IUPAC name

N-[(oxolan-2-yl)methyl]-N-{[5-(345-trimethoxyphenyl)-12-oxazol-3-yl]methyl}cyclohexanecarboxamide

SMILES

COc1cc(-c2cc(CN(CC3OCCC3)C(C3CCCCC3)=O)no2)cc(OC)c1OC

InChI

InChI=1S/C25H34N2O6/c1-29-22-12-18(13-23(30-2)24(22)31-3)21-14-19(26-33-21)15-27(16-20-10-7-11-32-20)25(28)17-8-5-4-6-9-17/h12-14,17,20H,4-11,15-16H2,1-3H3/t20-/m1/s1

InChI Key

PCQIMYBKJYCMDX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19973850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-3.90

Polar Surface Area

70.033

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V017-3816 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V017-3816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3816?
Check Price and Availability of V017-3816, 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 V017-3816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3816
  • 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 V017-3816 available by request