V006-0194 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

V006-0194 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate
V006-0194 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0194
methyl 4-{[1-(4-chlorophenyl)-2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

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

V006-0194

Molecular Formula

C27H30ClN3O5 (C27 H30 ClN3 O5)

Compound Name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

IUPAC name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(35-dimethyl-12-oxazole-4-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

SMILES

Cc1noc(C)c1C(N1CCN(CC(c(cc2)ccc2Cl)OCc(cc2)ccc2C(OC)=O)CC1)=O

InChI

InChI=1S/C27H30ClN3O5/c1-18-25(19(2)36-29-18)26(32)31-14-12-30(13-15-31)16-24(21-8-10-23(28)11-9-21)35-17-20-4-6-22(7-5-20)27(33)34-3/h4-11,24H,12-17H2,1-3H3/t24-/m0/s1

InChI Key

HAHBEVCFKMIJDY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19953378

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.90

Polar Surface Area

70.520

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V006-0194 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 V006-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0194?
Check Price and Availability of V006-0194, 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 V006-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0194
  • 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 V006-0194 available by request