5461-0020 Screening compound: 5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of ChemDiv screening compound 5461-0020
5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic 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
5461-0020
Molecular Formula
C13H11N3O5S2 (C13 H11 N3 O5 S2)
Compound Name
5-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylic acid
IUPAC name
5-{2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]acetamido}benzene-13-dicarboxylic acid
SMILES
Cc1nnc(SCC(Nc2cc(C(O)=O)cc(C(O)=O)c2)=O)s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
353.38
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.261
Distribution Coefficient, logD
-1.103
Water Solubility, LogSw
-2.53
Polar Surface Area
102.604
Acid Dissociation Constant (pKa)
3.77
Base Dissociation Constant (pKb)
-2.13
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.40
References: we are preparing a list of scientific research reports with 5461-0020 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 5461-0020, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)