Y040-6426 Screening compound: 4-methyl-2-{[(oxolan-2-yl)methyl]amino}-1,3-thiazole-5-carboxylic acid

Y040-6426 Screening compound: 4-methyl-2-{[(oxolan-2-yl)methyl]amino}-1,3-thiazole-5-carboxylic acid
Y040-6426 Screening compound: 4-methyl-2-{[(oxolan-2-yl)methyl]amino}-1,3-thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6426
4-methyl-2-{[(oxolan-2-yl)methyl]amino}-1,3-thiazole-5-carboxylic acid

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

Y040-6426

Molecular Formula

C10H14N2O3S (C10 H14 N2 O3 S)

Compound Name

4-methyl-2-{[(oxolan-2-yl)methyl]amino}-1,3-thiazole-5-carboxylic acid

IUPAC name

4-methyl-2-{[(oxolan-2-yl)methyl]amino}-13-thiazole-5-carboxylic acid

SMILES

Cc1c(C(O)=O)sc(NCC2OCCC2)n1

InChI

InChI=1S/C10H14N2O3S/c1-6-8(9(13)14)16-10(12-6)11-5-7-3-2-4-15-7/h7H,2-5H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1

InChI Key

JZHCJZBEZQCGOU-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD08165220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.157

Distribution Coefficient, logD

-3.000

Water Solubility, LogSw

-1.84

Polar Surface Area

58.159

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

Y040-6426 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-6426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6426?
Check Price and Availability of Y040-6426, 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 Y040-6426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6426
  • 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 Y040-6426 available by request