6623-1379 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

6623-1379 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
6623-1379 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1379
2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)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

6623-1379

Molecular Formula

C27H20N6OS2 (C27 H20 N6 OS2)

Compound Name

2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-({5-benzyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4-phenyl-13-thiazol-2-yl)acetamide

SMILES

O=C(CSc1nnc(c(cccc2)c2n2Cc3ccccc3)c2n1)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C27H20N6OS2/c34-23(29-26-28-21(16-35-26)19-11-5-2-6-12-19)17-36-27-30-25-24(31-32-27)20-13-7-8-14-22(20)33(25)15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,28,29,34)

InChI Key

SIEYMBYCMLWIHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01812268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

6.289

Water Solubility, LogSw

-6.18

Polar Surface Area

65.631

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

6623-1379 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6623-1379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1379?
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What is the minimum amount of 6623-1379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1379
  • 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 6623-1379 available by request