G533-1042 Screening compound: 1-(4-chlorophenyl)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

G533-1042 Screening compound: 1-(4-chlorophenyl)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
G533-1042 Screening compound: 1-(4-chlorophenyl)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G533-1042
1-(4-chlorophenyl)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-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

G533-1042

Molecular Formula

C16H20ClN3O2 (C16 H20 ClN3 O2)

Compound Name

1-(4-chlorophenyl)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

IUPAC name

1-(4-chlorophenyl)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

SMILES

CN(CC1)CCN1C(C(CCN1c(cc2)ccc2Cl)C1=O)=O

InChI

InChI=1S/C16H20ClN3O2/c1-18-8-10-19(11-9-18)15(21)14-6-7-20(16(14)22)13-4-2-12(17)3-5-13/h2-5,14H,6-11H2,1H3/t14-/m1/s1

InChI Key

PHTFDBAWPVIRBU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15016606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.361

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.37

Polar Surface Area

36.902

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G533-1042 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G533-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G533-1042?
Check Price and Availability of G533-1042, 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 G533-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G533-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G533-1042
  • 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 G533-1042 available by request