6623-1218 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide

6623-1218 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide
6623-1218 Screening compound: N-(1,3-benzothiazol-2-yl)-2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1218
N-(1,3-benzothiazol-2-yl)-2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)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

6623-1218

Molecular Formula

C22H20N6OS2 (C22 H20 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H20N6OS2/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/h5-12,16H,3-4H2,1-2H3,(H,23,25,29)/t16-/m0/s1

InChI Key

BAKDSTOVJIDVJQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02221702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

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

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.71

Polar Surface Area

65.827

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

6623-1218 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 6623-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1218?
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What is the minimum amount of 6623-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1218
  • 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 6623-1218 available by request