Y031-2005 Screening compound: 1-cyclohexyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

Y031-2005 Screening compound: 1-cyclohexyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
Y031-2005 Screening compound: 1-cyclohexyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2005
1-cyclohexyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-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

Y031-2005

Molecular Formula

C13H18N4O2S (C13 H18 N4 O2 S)

Compound Name

1-cyclohexyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

IUPAC name

1-cyclohexyl-5-oxo-N-(134-thiadiazol-2-yl)pyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(C2CCCCC2)C1=O)Nc1nncs1

InChI

InChI=1S/C13H18N4O2S/c18-11-6-9(12(19)15-13-16-14-8-20-13)7-17(11)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,15,16,19)/t9-/m0/s1

InChI Key

CIOSRNKCEXTVGW-VIFPVBQESA-N

MDL Number (MFCD)

MFCD07067825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.188

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-2.00

Polar Surface Area

63.488

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

Y031-2005 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2005?
Check Price and Availability of Y031-2005, 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 Y031-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2005
  • 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 Y031-2005 available by request