4570-0005 Screening compound: N-(3-methylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

4570-0005 Screening compound: N-(3-methylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
4570-0005 Screening compound: N-(3-methylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4570-0005
N-(3-methylphenyl)-2-{[5-(prop-2-en-1-yl)-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

4570-0005

Molecular Formula

C21H19N5OS (C21 H19 N5 OS)

Compound Name

N-(3-methylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-methylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSc2nnc(c(cccc3)c3n3CC=C)c3n2)=O)c1

InChI

InChI=1S/C21H19N5OS/c1-3-11-26-17-10-5-4-9-16(17)19-20(26)23-21(25-24-19)28-13-18(27)22-15-8-6-7-14(2)12-15/h3-10,12H,1,11,13H2,2H3,(H,22,27)

InChI Key

FFCAKBMJBYOGAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.34

Polar Surface Area

56.106

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4570-0005 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4570-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4570-0005?
Check Price and Availability of 4570-0005, 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 4570-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4570-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4570-0005
  • 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 4570-0005 available by request