5822-0025 Screening compound: 3-[[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl](2-carboxyethyl)amino]propanoic acid

5822-0025 Screening compound: 3-[[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl](2-carboxyethyl)amino]propanoic acid
5822-0025 Screening compound: 3-[[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl](2-carboxyethyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5822-0025
3-[[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl](2-carboxyethyl)amino]propanoic acid

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

5822-0025

Molecular Formula

C15H17N3O4S2 (C15 H17 N3 O4 S2)

Compound Name

3-[[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl](2-carboxyethyl)amino]propanoic acid

IUPAC name

n/a

SMILES

OC(CCN(CCC(O)=O)c1nnc(SCc2ccccc2)s1)=O

InChI

InChI=1S/C15H17N3O4S2/c19-12(20)6-8-18(9-7-13(21)22)14-16-17-15(24-14)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20)(H,21,22)

InChI Key

YKAHJIDZXRSBIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.564

Distribution Coefficient, logD

-2.131

Water Solubility, LogSw

-1.64

Polar Surface Area

82.658

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5822-0025 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5822-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5822-0025?
Check Price and Availability of 5822-0025, 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 5822-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5822-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5822-0025
  • 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 5822-0025 available by request