3105-0011 Screening compound: N-(4-fluorophenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

3105-0011 Screening compound: N-(4-fluorophenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide
3105-0011 Screening compound: N-(4-fluorophenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3105-0011
N-(4-fluorophenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

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

3105-0011

Molecular Formula

C17H12FN5OS (C17 H12 FN5 OS)

Compound Name

N-(4-fluorophenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc(cc1)ccc1F

InChI

InChI=1S/C17H12FN5OS/c18-10-5-7-11(8-6-10)19-14(24)9-25-17-21-16-15(22-23-17)12-3-1-2-4-13(12)20-16/h1-8H,9H2,(H,19,24)(H,20,21,23)

InChI Key

DQNRGTZGLSTIJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.29

Polar Surface Area

64.684

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3105-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3105-0011?
Check Price and Availability of 3105-0011, 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 3105-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3105-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3105-0011
  • 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 3105-0011 available by request