4896-1500 Screening compound: 2-({6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid

4896-1500 Screening compound: 2-({6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid
4896-1500 Screening compound: 2-({6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-1500
2-({6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid

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

4896-1500

Molecular Formula

C12H10N4O2S (C12 H10 N4 O2 S)

Compound Name

2-({6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid

IUPAC name

2-({6-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetic acid

SMILES

Cc1cccc2c1[nH]c1nc(SCC(O)=O)nnc12

InChI

InChI=1S/C12H10N4O2S/c1-6-3-2-4-7-9(6)13-11-10(7)15-16-12(14-11)19-5-8(17)18/h2-4H,5H2,1H3,(H,17,18)(H,13,14,16)

InChI Key

ORYGYCLZFDDBDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01653909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

-2.034

Water Solubility, LogSw

-2.25

Polar Surface Area

70.960

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4896-1500 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4896-1500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-1500?
Check Price and Availability of 4896-1500, 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 4896-1500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-1500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-1500
  • 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 4896-1500 available by request