6438-0103 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

6438-0103 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide
6438-0103 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6438-0103
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

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

6438-0103

Molecular Formula

C14H11N5O5S4 (C14 H11 N5 O5 S4)

Compound Name

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]acetamide

SMILES

Cc1nnc(SCC(Nc(s2)ncc2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=O)s1

InChI

InChI=1S/C14H11N5O5S4/c1-8-17-18-14(26-8)25-7-11(20)16-13-15-6-12(27-13)28(23,24)10-4-2-9(3-5-10)19(21)22/h2-6H,7H2,1H3,(H,15,16,20)

InChI Key

VAGBFVQWVVQBKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01973557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.78

Polar Surface Area

119.238

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6438-0103 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6438-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6438-0103?
Check Price and Availability of 6438-0103, 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 6438-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6438-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6438-0103
  • 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 6438-0103 available by request