Y030-7542 Screening compound: N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

Y030-7542 Screening compound: N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
Y030-7542 Screening compound: N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7542
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

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

Y030-7542

Molecular Formula

C12H19N3OS (C12 H19 N3 OS)

Compound Name

N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

IUPAC name

N-[5-(propan-2-yl)-134-thiadiazol-2-yl]cyclohexanecarboxamide

SMILES

CC(C)c1nnc(NC(C2CCCCC2)=O)s1

InChI

InChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)

InChI Key

OCNINTJDBAVJCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01417125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-3.52

Polar Surface Area

47.067

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

Y030-7542 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-7542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7542?
Check Price and Availability of Y030-7542, 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 Y030-7542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7542
  • 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 Y030-7542 available by request