3698-0088 Screening compound: 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid

3698-0088 Screening compound: 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
3698-0088 Screening compound: 2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3698-0088
2-{[5-(2-phenylethyl)-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

3698-0088

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(CSc1nnc(c(cccc2)c2n2CCc3ccccc3)c2n1)=O

InChI

InChI=1S/C19H16N4O2S/c24-16(25)12-26-19-20-18-17(21-22-19)14-8-4-5-9-15(14)23(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,25)

InChI Key

JLJFTUVZXOAPAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

-0.178

Water Solubility, LogSw

-3.16

Polar Surface Area

61.341

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3698-0088 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3698-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0088?
Check Price and Availability of 3698-0088, 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 3698-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0088
  • 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 3698-0088 available by request