4732-0166 Screening compound: 3-isopropyl-5-methyl-5-[2-(2-toluidino)-1,3-thiazol-4-yl]dihydro-2(3H)-furanone

4732-0166 Screening compound: 3-isopropyl-5-methyl-5-[2-(2-toluidino)-1,3-thiazol-4-yl]dihydro-2(3H)-furanone
4732-0166 Screening compound: 3-isopropyl-5-methyl-5-[2-(2-toluidino)-1,3-thiazol-4-yl]dihydro-2(3H)-furanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4732-0166
3-isopropyl-5-methyl-5-[2-(2-toluidino)-1,3-thiazol-4-yl]dihydro-2(3H)-furanone

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

4732-0166

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

3-isopropyl-5-methyl-5-[2-(2-toluidino)-1,3-thiazol-4-yl]dihydro-2(3H)-furanone

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-11(2)13-9-18(4,22-16(13)21)15-10-23-17(20-15)19-14-8-6-5-7-12(14)3/h5-8,10-11,13H,9H2,1-4H3,(H,19,20)

InChI Key

HJRFTQTZRBOHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00393820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-4.85

Polar Surface Area

38.987

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

4732-0166 in Drug Discovery

Included in Screening Libraries

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 4732-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4732-0166?
Check Price and Availability of 4732-0166, 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 4732-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4732-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4732-0166
  • 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 4732-0166 available by request