C200-4604 Screening compound: methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate

C200-4604 Screening compound: methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
C200-4604 Screening compound: methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4604
methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate

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

C200-4604

Molecular Formula

C20H15ClN6O3S (C20 H15 ClN6 O3 S)

Compound Name

methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate

IUPAC name

methyl 4-{4-[5-(4-chlorobenzamido)-124-thiadiazol-3-yl]-5-methyl-1H-123-triazol-1-yl}benzoate

SMILES

Cc1c(-c2nsc(NC(c(cc3)ccc3Cl)=O)n2)nnn1-c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C20H15ClN6O3S/c1-11-16(24-26-27(11)15-9-5-13(6-10-15)19(29)30-2)17-22-20(31-25-17)23-18(28)12-3-7-14(21)8-4-12/h3-10H,1-2H3,(H,22,23,25,28)

InChI Key

LXSZDBHEZLTBPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.65

Polar Surface Area

91.934

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C200-4604 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-4604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4604?
Check Price and Availability of C200-4604, 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 C200-4604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4604
  • 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 C200-4604 available by request