V001-5720 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

V001-5720 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
V001-5720 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5720
2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-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

V001-5720

Molecular Formula

C28H25ClF3N3O2 (C28 H25 ClF3 N3 O2)

Compound Name

2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-(1-phenylethyl)-13-oxazole-4-carboxamide

SMILES

CC(c1ccccc1)NC(c1coc(CN(Cc2cc(C(F)(F)F)ccc2)Cc2cccc(Cl)c2)n1)=O

InChI

InChI=1S/C28H25ClF3N3O2/c1-19(22-9-3-2-4-10-22)33-27(36)25-18-37-26(34-25)17-35(16-21-8-6-12-24(29)14-21)15-20-7-5-11-23(13-20)28(30,31)32/h2-14,18-19H,15-17H2,1H3,(H,33,36)/t19-/m0/s1

InChI Key

GOZWGUHPESTARG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19833101

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.931

Distribution Coefficient, logD

5.931

Water Solubility, LogSw

-6.25

Polar Surface Area

45.661

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

V001-5720 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V001-5720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5720?
Check Price and Availability of V001-5720, 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 V001-5720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5720
  • 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 V001-5720 available by request