Y031-4742 Screening compound: 1-(4-chlorophenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-2-one

Y031-4742 Screening compound: 1-(4-chlorophenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-2-one
Y031-4742 Screening compound: 1-(4-chlorophenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4742
1-(4-chlorophenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-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

Y031-4742

Molecular Formula

C20H19ClN2O2 (C20 H19 ClN2 O2)

Compound Name

1-(4-chlorophenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-2-one

IUPAC name

1-(4-chlorophenyl)-4-(1234-tetrahydroisoquinoline-2-carbonyl)pyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1Cl)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)23-13-16(11-19(23)24)20(25)22-10-9-14-3-1-2-4-15(14)12-22/h1-8,16H,9-13H2/t16-/m1/s1

InChI Key

NNOBLNJPYVDZKL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD07401244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.282

Water Solubility, LogSw

-3.41

Polar Surface Area

33.298

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y031-4742 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-4742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4742?
Check Price and Availability of Y031-4742, 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 Y031-4742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4742
  • 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 Y031-4742 available by request