V028-8206 Screening compound: 3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)tetrahydro-2(1H)-pyrazinone

V028-8206 Screening compound: 3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)tetrahydro-2(1H)-pyrazinone
V028-8206 Screening compound: 3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8206
3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)tetrahydro-2(1H)-pyrazinone

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

V028-8206

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)tetrahydro-2(1H)-pyrazinone

IUPAC name

3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one

SMILES

CC(C(N(CC1)c(cc2)ccc2[N+]([O-])=O)=O)N1C(CCc1ccccc1)=O

InChI

InChI=1S/C20H21N3O4/c1-15-20(25)22(17-8-10-18(11-9-17)23(26)27)14-13-21(15)19(24)12-7-16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-14H2,1H3/t15-/m0/s1

InChI Key

GFGSOQYZVSMQIV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19892296

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.42

Polar Surface Area

64.830

Acid Dissociation Constant (pKa)

19.72

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V028-8206 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-8206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8206?
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What is the minimum amount of V028-8206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8206
  • 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 V028-8206 available by request