D084-0536 Screening compound: methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate

D084-0536 Screening compound: methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
D084-0536 Screening compound: methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D084-0536
methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]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

D084-0536

Molecular Formula

C14H14N4O4S (C14 H14 N4 O4 S)

Compound Name

methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 2-{2-[(3-hydroxy-6-methyl-124-triazin-5-yl)sulfanyl]acetamido}benzoate

SMILES

Cc(c(SCC(Nc(cccc1)c1C(OC)=O)=O)n1)nnc1O

InChI

InChI=1S/C14H14N4O4S/c1-8-12(16-14(21)18-17-8)23-7-11(19)15-10-6-4-3-5-9(10)13(20)22-2/h3-6H,7H2,1-2H3,(H,15,19)(H,16,18,21)

InChI Key

DSCPKULNAWKTJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.803

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-2.32

Polar Surface Area

92.900

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with D084-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D084-0536?
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What is the minimum amount of D084-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D084-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D084-0536
  • 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 D084-0536 available by request