Y031-2482 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Y031-2482 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Y031-2482 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2482
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-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

Y031-2482

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(5-cyclohexyl-134-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

COc(cc1)ccc1N(CC(C1)C(Nc2nnc(C3CCCCC3)s2)=O)C1=O

InChI

InChI=1S/C20H24N4O3S/c1-27-16-9-7-15(8-10-16)24-12-14(11-17(24)25)18(26)21-20-23-22-19(28-20)13-5-3-2-4-6-13/h7-10,13-14H,2-6,11-12H2,1H3,(H,21,23,26)/t14-/m0/s1

InChI Key

VDUPMJBOPJWJGF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07133127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.74

Polar Surface Area

71.089

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y031-2482 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with Y031-2482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2482?
Check Price and Availability of Y031-2482, 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 Y031-2482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2482
  • 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 Y031-2482 available by request