8009-6574 Screening compound: methyl 2-{[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate

8009-6574 Screening compound: methyl 2-{[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate
8009-6574 Screening compound: methyl 2-{[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6574
methyl 2-{[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}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

8009-6574

Molecular Formula

C12H12N4O3S (C12 H12 N4 O3 S)

Compound Name

methyl 2-{[2-(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate

IUPAC name

methyl 2-[2-(1H-124-triazol-3-ylsulfanyl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CSc1n[nH]cn1)=O)=O

InChI

InChI=1S/C12H12N4O3S/c1-19-11(18)8-4-2-3-5-9(8)15-10(17)6-20-12-13-7-14-16-12/h2-5,7H,6H2,1H3,(H,15,17)(H,13,14,16)

InChI Key

MRYHYHRSJQIPFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01603839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.925

Distribution Coefficient, logD

0.911

Water Solubility, LogSw

-2.38

Polar Surface Area

78.018

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8009-6574 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8009-6574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6574?
Check Price and Availability of 8009-6574, 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 8009-6574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6574
  • 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 8009-6574 available by request