V028-5945 Screening compound: 1-(3-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

V028-5945 Screening compound: 1-(3-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
V028-5945 Screening compound: 1-(3-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5945
1-(3-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

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

V028-5945

Molecular Formula

C19H19BrN2O3 (C19 H19 BrN2 O3)

Compound Name

1-(3-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

IUPAC name

1-(3-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

SMILES

CC(C(N(CC1)c2cccc(Br)c2)=O)N1C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-7-4-6-15(20)12-16)10-9-21(13)19(24)14-5-3-8-17(11-14)25-2/h3-8,11-13H,9-10H2,1-2H3/t13-/m0/s1

InChI Key

MKPXVGNOPXUXPA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19892637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.71

Polar Surface Area

39.520

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

V028-5945 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-5945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5945?
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What is the minimum amount of V028-5945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5945
  • 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 V028-5945 available by request