6290-0061 Screening compound: 2-({8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-ACETAMIDOPHENYL)ACETAMIDE

6290-0061 Screening compound: 2-({8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-ACETAMIDOPHENYL)ACETAMIDE
6290-0061 Screening compound: 2-({8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-ACETAMIDOPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6290-0061
2-({8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-ACETAMIDOPHENYL)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

6290-0061

Molecular Formula

C20H17BrN6O2S (C20 H17 BrN6 O2 S)

Compound Name

2-({8-BROMO-5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-ACETAMIDOPHENYL)ACETAMIDE

IUPAC name

2-({8-bromo-5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4-acetamidophenyl)acetamide

SMILES

CC(Nc(cc1)ccc1NC(CSc1nnc(c(cc(cc2)Br)c2n2C)c2n1)=O)=O

InChI

InChI=1S/C20H17BrN6O2S/c1-11(28)22-13-4-6-14(7-5-13)23-17(29)10-30-20-24-19-18(25-26-20)15-9-12(21)3-8-16(15)27(19)2/h3-9H,10H2,1-2H3,(H,22,28)(H,23,29)

InChI Key

QWMNBFSPVMFCPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01891228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.29

Polar Surface Area

80.200

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6290-0061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6290-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6290-0061?
Check Price and Availability of 6290-0061, 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 6290-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6290-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6290-0061
  • 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 6290-0061 available by request