8009-7337 Screening compound: 3-[(4-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

8009-7337 Screening compound: 3-[(4-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
8009-7337 Screening compound: 3-[(4-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7337
3-[(4-chlorobenzyl)sulfanyl]-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

8009-7337

Molecular Formula

C16H11ClN4S (C16 H11 ClN4 S)

Compound Name

3-[(4-chlorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

IUPAC name

3-{[(4-chlorophenyl)methyl]sulfanyl}-5H-[124]triazino[56-b]indole

SMILES

Clc1ccc(CSc2nnc(c(cccc3)c3[nH]3)c3n2)cc1

InChI

InChI=1S/C16H11ClN4S/c17-11-7-5-10(6-8-11)9-22-16-19-15-14(20-21-16)12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,18,19,21)

InChI Key

XMZKPFHSMJBQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-4.08

Polar Surface Area

41.535

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8009-7337 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-7337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7337?
Check Price and Availability of 8009-7337, 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 8009-7337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7337
  • 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 8009-7337 available by request