V013-4818 Screening compound: 2-(3-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}phenyl)propanenitrile

V013-4818 Screening compound: 2-(3-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}phenyl)propanenitrile
V013-4818 Screening compound: 2-(3-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}phenyl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4818
2-(3-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}phenyl)propanenitrile

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

V013-4818

Molecular Formula

C30H26F3N5O2 (C30 H26 F3 N5 O2)

Compound Name

2-(3-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}phenyl)propanenitrile

IUPAC name

2-(3-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-124-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}phenyl)propanenitrile

SMILES

CC(c1cccc(C(N2CCN(Cc3cccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)c3)CC2)=O)c1)C#N

InChI

InChI=1S/C30H26F3N5O2/c1-20(18-34)22-6-3-9-25(16-22)29(39)38-13-11-37(12-14-38)19-21-5-2-7-23(15-21)27-35-28(40-36-27)24-8-4-10-26(17-24)30(31,32)33/h2-10,15-17,20H,11-14,19H2,1H3/t20-/m1/s1

InChI Key

FJYIPDVPNWJIQG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19962313

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.55

Polar Surface Area

68.889

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

V013-4818 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V013-4818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4818?
Check Price and Availability of V013-4818, 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 V013-4818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4818
  • 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 V013-4818 available by request