V012-5516 Screening compound: N-(3-chlorophenyl)-2-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)morpholine-4-carboxamide

V012-5516 Screening compound: N-(3-chlorophenyl)-2-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)morpholine-4-carboxamide
V012-5516 Screening compound: N-(3-chlorophenyl)-2-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)morpholine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5516
N-(3-chlorophenyl)-2-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)morpholine-4-carboxamide

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

V012-5516

Molecular Formula

C25H28ClF3N4O3 (C25 H28 ClF3 N4 O3)

Compound Name

N-(3-chlorophenyl)-2-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)morpholine-4-carboxamide

IUPAC name

N-(3-chlorophenyl)-2-({4-[4-(trifluoromethyl)benzoyl]-14-diazepan-1-yl}methyl)morpholine-4-carboxamide

SMILES

O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC(C2)OCCN2C(Nc2cccc(Cl)c2)=O)CCC1

InChI

InChI=1S/C25H28ClF3N4O3/c26-20-3-1-4-21(15-20)30-24(35)33-13-14-36-22(17-33)16-31-9-2-10-32(12-11-31)23(34)18-5-7-19(8-6-18)25(27,28)29/h1,3-8,15,22H,2,9-14,16-17H2,(H,30,35)/t22-/m0/s1

InChI Key

RYEPUSIOLRMPRO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19919420

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.34

Polar Surface Area

54.257

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V012-5516 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V012-5516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5516?
Check Price and Availability of V012-5516, 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 V012-5516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5516
  • 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 V012-5516 available by request