6521-0199 Screening compound: 5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one

6521-0199 Screening compound: 5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
6521-0199 Screening compound: 5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6521-0199
5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]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

6521-0199

Molecular Formula

C10H15N3O2S (C10 H15 N3 O2 S)

Compound Name

5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one

IUPAC name

55-dimethyl-3-[2-(5-sulfanyl-4H-124-triazol-3-yl)ethyl]oxolan-2-one

SMILES

CC(C)(CC1CCc([nH]2)nnc2S)OC1=O

InChI

InChI=1S/C10H15N3O2S/c1-10(2)5-6(8(14)15-10)3-4-7-11-9(16)13-12-7/h6H,3-5H2,1-2H3,(H2,11,12,13,16)/t6-/m0/s1

InChI Key

PNVRGYHEPQYAHM-LURJTMIESA-N

MDL Number (MFCD)

MFCD04172619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.864

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-1.19

Polar Surface Area

53.419

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

6521-0199 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6521-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6521-0199?
Check Price and Availability of 6521-0199, 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 6521-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6521-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6521-0199
  • 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 6521-0199 available by request