5471-0065 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

5471-0065 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
5471-0065 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5471-0065
2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

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

5471-0065

Molecular Formula

C22H24N6OS2 (C22 H24 N6 OS2)

Compound Name

2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

IUPAC name

2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4567-tetrahydro-13-benzothiazol-2-yl)butanamide

SMILES

CCC(C(Nc1nc(CCCC2)c2s1)=O)Sc1nnc(c(cccc2)c2n2CC)c2n1

InChI

InChI=1S/C22H24N6OS2/c1-3-16(20(29)25-21-23-14-10-6-8-12-17(14)31-21)30-22-24-19-18(26-27-22)13-9-5-7-11-15(13)28(19)4-2/h5,7,9,11,16H,3-4,6,8,10,12H2,1-2H3,(H,23,25,29)/t16-/m0/s1

InChI Key

KREWDKPLLNUCKN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03487866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-5.55

Polar Surface Area

67.534

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

5471-0065 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5471-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5471-0065?
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What is the minimum amount of 5471-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5471-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5471-0065
  • 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 5471-0065 available by request