6623-1380 Screening compound: N-(4-phenyl-1,3-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

6623-1380 Screening compound: N-(4-phenyl-1,3-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
6623-1380 Screening compound: N-(4-phenyl-1,3-thiazol-2-yl)-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 6623-1380
N-(4-phenyl-1,3-thiazol-2-yl)-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

6623-1380

Molecular Formula

C23H18N6OS2 (C23 H18 N6 OS2)

Compound Name

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

IUPAC name

N-(4-phenyl-13-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

C=CCn1c2nc(SCC(Nc3nc(-c4ccccc4)cs3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C23H18N6OS2/c1-2-12-29-18-11-7-6-10-16(18)20-21(29)26-23(28-27-20)32-14-19(30)25-22-24-17(13-31-22)15-8-4-3-5-9-15/h2-11,13H,1,12,14H2,(H,24,25,30)

InChI Key

BYIIHKLCFHXWRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01812278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.57

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

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.90

Polar Surface Area

65.881

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

6623-1380 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6623-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1380?
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What is the minimum amount of 6623-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1380
  • 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 6623-1380 available by request