Y031-4606 Screening compound: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Y031-4606 Screening compound: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Y031-4606 Screening compound: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4606
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

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

Y031-4606

Molecular Formula

C23H29N5O3S (C23 H29 N5 O3 S)

Compound Name

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

IUPAC name

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-propyl-134-thiadiazol-2-yl)piperidine-4-carboxamide

SMILES

CCCc1nnc(NC(C(CC2)CCN2C(C(CC2=O)CN2c2ccc(C)cc2)=O)=O)s1

InChI

InChI=1S/C23H29N5O3S/c1-3-4-19-25-26-23(32-19)24-21(30)16-9-11-27(12-10-16)22(31)17-13-20(29)28(14-17)18-7-5-15(2)6-8-18/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,24,26,30)/t17-/m0/s1

InChI Key

PAMOSYKJTPZGMA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07790659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-3.18

Polar Surface Area

80.768

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

Y031-4606 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4606?
Check Price and Availability of Y031-4606, 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 Y031-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4606
  • 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 Y031-4606 available by request