G865-0015 Screening compound: methyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamido]benzoate

G865-0015 Screening compound: methyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamido]benzoate
G865-0015 Screening compound: methyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G865-0015
methyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamido]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

G865-0015

Molecular Formula

C12H12N4O3S (C12 H12 N4 O3 S)

Compound Name

methyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-(1H-124-triazol-5-ylsulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1ncn[nH]1)=O)=O

InChI

InChI=1S/C12H12N4O3S/c1-19-11(18)8-2-4-9(5-3-8)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

KRTAEVOJJCQJPO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

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

1.370

Distribution Coefficient, logD

1.161

Water Solubility, LogSw

-2.22

Polar Surface Area

78.715

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G865-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G865-0015?
Check Price and Availability of G865-0015, 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 G865-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G865-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G865-0015
  • 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 G865-0015 available by request