4075-3191 Screening compound: 5-methyl-3-(3-methylbutyl)-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}oxolan-2-one

4075-3191 Screening compound: 5-methyl-3-(3-methylbutyl)-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}oxolan-2-one
4075-3191 Screening compound: 5-methyl-3-(3-methylbutyl)-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}oxolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3191
5-methyl-3-(3-methylbutyl)-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}oxolan-2-one

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

4075-3191

Molecular Formula

C20H26N2O2S (C20 H26 N2 O2 S)

Compound Name

5-methyl-3-(3-methylbutyl)-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}oxolan-2-one

IUPAC name

5-methyl-3-(3-methylbutyl)-5-{2-[(2-methylphenyl)amino]-13-thiazol-4-yl}oxolan-2-one

SMILES

CC(C)CCC(CC(C)(c1csc(Nc2c(C)cccc2)n1)O1)C1=O

InChI

InChI=1S/C20H26N2O2S/c1-13(2)9-10-15-11-20(4,24-18(15)23)17-12-25-19(22-17)21-16-8-6-5-7-14(16)3/h5-8,12-13,15H,9-11H2,1-4H3,(H,21,22)

InChI Key

WGRJUOXIPVHBJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.061

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-5.47

Polar Surface Area

38.987

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

4075-3191 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4075-3191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3191?
Check Price and Availability of 4075-3191, 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 4075-3191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3191
  • 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 4075-3191 available by request