8010-5856 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

8010-5856 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
8010-5856 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5856
N-(3-chloro-4-fluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}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

8010-5856

Molecular Formula

C25H19ClFN5OS (C25 H19 ClFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(c(cccc2)c2n2CCc3ccccc3)c2n1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C25H19ClFN5OS/c26-19-14-17(10-11-20(19)27)28-22(33)15-34-25-29-24-23(30-31-25)18-8-4-5-9-21(18)32(24)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,28,33)

InChI Key

OXGBVOWTKGFOOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-6.08

Polar Surface Area

55.835

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8010-5856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5856?
Check Price and Availability of 8010-5856, 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 8010-5856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5856
  • 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 8010-5856 available by request