3869-0132 Screening compound: ethyl 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-2-oxo-3-pentyloxolane-3-carboxylate

3869-0132 Screening compound: ethyl 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-2-oxo-3-pentyloxolane-3-carboxylate
3869-0132 Screening compound: ethyl 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-2-oxo-3-pentyloxolane-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3869-0132
ethyl 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-2-oxo-3-pentyloxolane-3-carboxylate

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

3869-0132

Molecular Formula

C16H24N2O4S (C16 H24 N2 O4 S)

Compound Name

ethyl 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-2-oxo-3-pentyloxolane-3-carboxylate

IUPAC name

ethyl 5-(2-amino-13-thiazol-4-yl)-5-methyl-2-oxo-3-pentyloxolane-3-carboxylate

SMILES

CCCCCC(CC(C)(c1csc(N)n1)O1)(C(OCC)=O)C1=O

InChI

InChI=1S/C16H24N2O4S/c1-4-6-7-8-16(12(19)21-5-2)10-15(3,22-13(16)20)11-9-23-14(17)18-11/h9H,4-8,10H2,1-3H3,(H2,17,18)

InChI Key

GTZZCEQQNSESGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.81

Polar Surface Area

72.283

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.80

3869-0132 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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 3869-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3869-0132?
Check Price and Availability of 3869-0132, 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 3869-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3869-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3869-0132
  • 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 3869-0132 available by request