V002-0197 Screening compound: methyl 4-[(2-{4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate

V002-0197 Screening compound: methyl 4-[(2-{4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate
V002-0197 Screening compound: methyl 4-[(2-{4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0197
methyl 4-[(2-{4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)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

V002-0197

Molecular Formula

C33H34ClN3O6 (C33 H34 ClN3 O6)

Compound Name

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

IUPAC name

methyl 4-[(2-{4-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate

SMILES

Cc1c(C(N2CCN(CC(c3cc(OC)ccc3)OCc(cc3)ccc3C(OC)=O)CC2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C33H34ClN3O6/c1-22-30(31(35-43-22)27-9-4-5-10-28(27)34)32(38)37-17-15-36(16-18-37)20-29(25-7-6-8-26(19-25)40-2)42-21-23-11-13-24(14-12-23)33(39)41-3/h4-14,19,29H,15-18,20-21H2,1-3H3/t29-/m0/s1

InChI Key

WGSWJBXPKXOLKP-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19953401

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

604.1

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-5.25

Polar Surface Area

77.985

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

V002-0197 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 V002-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0197?
Check Price and Availability of V002-0197, 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 V002-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0197
  • 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 V002-0197 available by request