2037-0056 Screening compound: 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

2037-0056 Screening compound: 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
2037-0056 Screening compound: 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2037-0056
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

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

2037-0056

Molecular Formula

C17H13ClN4S (C17 H13 ClN4 S)

Compound Name

3-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole

IUPAC name

3-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-5H-[124]triazino[56-b]indole

SMILES

Cn1c2nc(SCc(cccc3)c3Cl)nnc2c2c1cccc2

InChI

InChI=1S/C17H13ClN4S/c1-22-14-9-5-3-7-12(14)15-16(22)19-17(21-20-15)23-10-11-6-2-4-8-13(11)18/h2-9H,10H2,1H3

InChI Key

LHJCEEBGLTXGPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.33

Polar Surface Area

33.788

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2037-0056 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2037-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2037-0056?
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What is the minimum amount of 2037-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2037-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2037-0056
  • 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 2037-0056 available by request