3089-0488 Screening compound: 3-(2-amino-1,3-thiazol-4-yl)-3-methyl-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione

3089-0488 Screening compound: 3-(2-amino-1,3-thiazol-4-yl)-3-methyl-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
3089-0488 Screening compound: 3-(2-amino-1,3-thiazol-4-yl)-3-methyl-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3089-0488
3-(2-amino-1,3-thiazol-4-yl)-3-methyl-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione

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

3089-0488

Molecular Formula

C16H22N2O5S (C16 H22 N2 O5 S)

Compound Name

3-(2-amino-1,3-thiazol-4-yl)-3-methyl-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione

IUPAC name

3-(2-amino-13-thiazol-4-yl)-3-methyl-8-[(2-methylpropoxy)methyl]-27-dioxaspiro[4.4]nonane-16-dione

SMILES

CC(C)COCC(CC1(CC(C)(c2csc(N)n2)O2)C2=O)OC1=O

InChI

InChI=1S/C16H22N2O5S/c1-9(2)5-21-6-10-4-16(12(19)22-10)8-15(3,23-13(16)20)11-7-24-14(17)18-11/h7,9-10H,4-6,8H2,1-3H3,(H2,17,18)

InChI Key

RQPYOCLYNKQFLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-2.09

Polar Surface Area

81.396

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.80

3089-0488 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3089-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3089-0488?
Check Price and Availability of 3089-0488, 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 3089-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3089-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3089-0488
  • 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 3089-0488 available by request