V014-3698 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate

V014-3698 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate
V014-3698 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3698
methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(2,6-dichlorophenyl)-5-methyl-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

V014-3698

Molecular Formula

C32H30Cl3N3O5 (C32 H30 Cl3 N3 O5)

Compound Name

methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate

IUPAC name

methyl 4-{[1-(4-chlorophenyl)-2-{4-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-carbonyl]piperazin-1-yl}ethoxy]methyl}benzoate

SMILES

Cc1c(C(N2CCN(CC(c(cc3)ccc3Cl)OCc(cc3)ccc3C(OC)=O)CC2)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C32H30Cl3N3O5/c1-20-28(30(36-43-20)29-25(34)4-3-5-26(29)35)31(39)38-16-14-37(15-17-38)18-27(22-10-12-24(33)13-11-22)42-19-21-6-8-23(9-7-21)32(40)41-2/h3-13,27H,14-19H2,1-2H3/t27-/m0/s1

InChI Key

CRGYELFGIFDLIQ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19953379

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

642.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.824

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-6.23

Polar Surface Area

70.442

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

V014-3698 in Drug Discovery

Included in Screening Libraries

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 V014-3698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3698?
Check Price and Availability of V014-3698, 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 V014-3698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3698
  • 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 V014-3698 available by request