5822-0022 Screening compound: 3-[(2-carboxyethyl)[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoic acid

5822-0022 Screening compound: 3-[(2-carboxyethyl)[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoic acid
5822-0022 Screening compound: 3-[(2-carboxyethyl)[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5822-0022
3-[(2-carboxyethyl)[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]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

5822-0022

Molecular Formula

C9H13N3O4S2 (C9 H13 N3 O4 S2)

Compound Name

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

IUPAC name

3-[(2-carboxyethyl)[5-(methylsulfanyl)-134-thiadiazol-2-yl]amino]propanoic acid

SMILES

CSc1nnc(N(CCC(O)=O)CCC(O)=O)s1

InChI

InChI=1S/C9H13N3O4S2/c1-17-9-11-10-8(18-9)12(4-2-6(13)14)5-3-7(15)16/h2-5H2,1H3,(H,13,14)(H,15,16)

InChI Key

OBEWHYQGYHTBQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.568

Distribution Coefficient, logD

-3.264

Water Solubility, LogSw

-0.78

Polar Surface Area

82.930

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

5822-0022 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5822-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5822-0022?
Check Price and Availability of 5822-0022, 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 5822-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5822-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5822-0022
  • 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 5822-0022 available by request