V003-2426 Screening compound: methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate

V003-2426 Screening compound: methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate
V003-2426 Screening compound: methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2426
methyl 4-({2-[4-(2,1,3-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)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

V003-2426

Molecular Formula

C28H27ClN4O5 (C28 H27 ClN4 O5)

Compound Name

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

IUPAC name

methyl 4-({2-[4-(213-benzoxadiazole-5-carbonyl)piperazin-1-yl]-1-(4-chlorophenyl)ethoxy}methyl)benzoate

SMILES

COC(c1ccc(COC(CN(CC2)CCN2C(c2cc3nonc3cc2)=O)c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C28H27ClN4O5/c1-36-28(35)21-4-2-19(3-5-21)18-37-26(20-6-9-23(29)10-7-20)17-32-12-14-33(15-13-32)27(34)22-8-11-24-25(16-22)31-38-30-24/h2-11,16,26H,12-15,17-18H2,1H3/t26-/m0/s1

InChI Key

JLLLAFKKEUNROB-SANMLTNESA-N

MDL Number (MFCD)

MFCD19954641

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.82

Polar Surface Area

83.801

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V003-2426 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-2426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2426?
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What is the minimum amount of V003-2426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2426
  • 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 V003-2426 available by request