Y030-9009 Screening compound: 3-cyclohexyl-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide

Y030-9009 Screening compound: 3-cyclohexyl-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
Y030-9009 Screening compound: 3-cyclohexyl-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9009
3-cyclohexyl-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide

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

Y030-9009

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

3-cyclohexyl-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide

IUPAC name

3-cyclohexyl-N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}propanamide

SMILES

COc(ccc(Cc1nnc(NC(CCC2CCCCC2)=O)s1)c1)c1OC

InChI

InChI=1S/C20H27N3O3S/c1-25-16-10-8-15(12-17(16)26-2)13-19-22-23-20(27-19)21-18(24)11-9-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,21,23,24)

InChI Key

CAJZRIHPVIFHPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.39

Polar Surface Area

62.338

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

Y030-9009 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y030-9009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9009?
Check Price and Availability of Y030-9009, 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 Y030-9009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9009
  • 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 Y030-9009 available by request