Y040-6502 Screening compound: 4-methyl-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid

Y040-6502 Screening compound: 4-methyl-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
Y040-6502 Screening compound: 4-methyl-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6502
4-methyl-2-[(2-methylpropyl)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

Y040-6502

Molecular Formula

C9H14N2O2S (C9 H14 N2 O2 S)

Compound Name

4-methyl-2-[(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid

IUPAC name

4-methyl-2-[(2-methylpropyl)amino]-13-thiazole-5-carboxylic acid

SMILES

CC(C)CNc1nc(C)c(C(O)=O)s1

InChI

InChI=1S/C9H14N2O2S/c1-5(2)4-10-9-11-6(3)7(14-9)8(12)13/h5H,4H2,1-3H3,(H,10,11)(H,12,13)

InChI Key

FTGYBWDVNZRZDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08165214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

-1.965

Water Solubility, LogSw

-2.26

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

Y040-6502 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
Targets:
  • Proteases
  • GPCR
  • Ion Channels
Structure:
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-6502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6502?
Check Price and Availability of Y040-6502, 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 Y040-6502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6502
  • 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 Y040-6502 available by request