Y031-7136 Screening compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

Y031-7136 Screening compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
Y031-7136 Screening compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7136
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]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

Y031-7136

Molecular Formula

C24H31N5O3S (C24 H31 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1nnc(NC(C(CC2)CCN2C(C(CC2=O)CN2c2ccc(C)cc2)=O)=O)s1

InChI

InChI=1S/C24H31N5O3S/c1-15-5-7-18(8-6-15)29-14-17(13-19(29)30)21(32)28-11-9-16(10-12-28)20(31)25-23-27-26-22(33-23)24(2,3)4/h5-8,16-17H,9-14H2,1-4H3,(H,25,27,31)/t17-/m0/s1

InChI Key

GSJPGHPANXGXEV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07401196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.17

Polar Surface Area

80.273

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

Y031-7136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y031-7136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7136?
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What is the minimum amount of Y031-7136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7136
  • 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 Y031-7136 available by request