V028-9533 Screening compound: ethyl 2-[4-(4-chloro-2-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate

V028-9533 Screening compound: ethyl 2-[4-(4-chloro-2-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
V028-9533 Screening compound: ethyl 2-[4-(4-chloro-2-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9533
ethyl 2-[4-(4-chloro-2-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate

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

V028-9533

Molecular Formula

C16H21ClN2O3 (C16 H21 ClN2 O3)

Compound Name

ethyl 2-[4-(4-chloro-2-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate

IUPAC name

ethyl 2-[4-(4-chloro-2-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate

SMILES

CCOC(CN(CCN1c(cc2)c(C)cc2Cl)C(C)C1=O)=O

InChI

InChI=1S/C16H21ClN2O3/c1-4-22-15(20)10-18-7-8-19(16(21)12(18)3)14-6-5-13(17)9-11(14)2/h5-6,9,12H,4,7-8,10H2,1-3H3/t12-/m0/s1

InChI Key

SZFPIXCVAAYBNY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10457445

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

324.81

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

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.19

Polar Surface Area

39.355

Acid Dissociation Constant (pKa)

18.85

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V028-9533 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V028-9533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9533?
Check Price and Availability of V028-9533, 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 V028-9533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9533
  • 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 V028-9533 available by request