Y031-1545 Screening compound: ethyl 2-(3-cyclohexylpropanamido)-4-methyl-1,3-thiazole-5-carboxylate

Y031-1545 Screening compound: ethyl 2-(3-cyclohexylpropanamido)-4-methyl-1,3-thiazole-5-carboxylate
Y031-1545 Screening compound: ethyl 2-(3-cyclohexylpropanamido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1545
ethyl 2-(3-cyclohexylpropanamido)-4-methyl-1,3-thiazole-5-carboxylate

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

Y031-1545

Molecular Formula

C16H24N2O3S (C16 H24 N2 O3 S)

Compound Name

ethyl 2-(3-cyclohexylpropanamido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-(3-cyclohexylpropanamido)-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CCC2CCCCC2)=O)s1)=O

InChI

InChI=1S/C16H24N2O3S/c1-3-21-15(20)14-11(2)17-16(22-14)18-13(19)10-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19)

InChI Key

PPPXRFDFABOSNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.01

Polar Surface Area

54.685

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

Y031-1545 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y031-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1545?
Check Price and Availability of Y031-1545, 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 Y031-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1545
  • 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 Y031-1545 available by request