V018-9248 Screening compound: methyl 4-{[2-methyl-4-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl}benzoate

V018-9248 Screening compound: methyl 4-{[2-methyl-4-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl}benzoate
V018-9248 Screening compound: methyl 4-{[2-methyl-4-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9248
methyl 4-{[2-methyl-4-(3-methylphenyl)-3-oxopiperazin-1-yl]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

V018-9248

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

methyl 4-{[2-methyl-4-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl}benzoate

IUPAC name

methyl 4-{[2-methyl-4-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl}benzoate

SMILES

CC(C1=O)N(Cc(cc2)ccc2C(OC)=O)CCN1c1cc(C)ccc1

InChI

InChI=1S/C21H24N2O3/c1-15-5-4-6-19(13-15)23-12-11-22(16(2)20(23)24)14-17-7-9-18(10-8-17)21(25)26-3/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m0/s1

InChI Key

HANOEQNOBRGNQC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19891904

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.49

Polar Surface Area

40.400

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V018-9248 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V018-9248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9248?
Check Price and Availability of V018-9248, 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 V018-9248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9248
  • 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 V018-9248 available by request