V005-9463 Screening compound: 2-({[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

V005-9463 Screening compound: 2-({[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
V005-9463 Screening compound: 2-({[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9463
2-({[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-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

V005-9463

Molecular Formula

C29H29ClFN3O3S (C29 H29 ClFN3 O3 S)

Compound Name

2-({[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[2-(34-dimethoxyphenyl)ethyl]-13-thiazole-4-carboxamide

SMILES

COc(ccc(CCNC(c1csc(CN(Cc(cc2)ccc2F)Cc2cccc(Cl)c2)n1)=O)c1)c1OC

InChI

InChI=1S/C29H29ClFN3O3S/c1-36-26-11-8-20(15-27(26)37-2)12-13-32-29(35)25-19-38-28(33-25)18-34(16-21-6-9-24(31)10-7-21)17-22-4-3-5-23(30)14-22/h3-11,14-15,19H,12-13,16-18H2,1-2H3,(H,32,35)

InChI Key

CWTPUWJVESSASL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19761138

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.59

Polar Surface Area

53.695

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V005-9463 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-9463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9463?
Check Price and Availability of V005-9463, 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 V005-9463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9463
  • 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 V005-9463 available by request