6623-1382 Screening compound: N-(4-phenyl-1,3-thiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide

6623-1382 Screening compound: N-(4-phenyl-1,3-thiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
6623-1382 Screening compound: N-(4-phenyl-1,3-thiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1382
N-(4-phenyl-1,3-thiazol-2-yl)-2-{[5-(propan-2-yl)-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

6623-1382

Molecular Formula

C25H24N6OS2 (C25 H24 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1nc(-c2ccccc2)cs1)=O)Sc1nnc(c(cccc2)c2n2C(C)C)c2n1

InChI

InChI=1S/C25H24N6OS2/c1-4-20(23(32)28-24-26-18(14-33-24)16-10-6-5-7-11-16)34-25-27-22-21(29-30-25)17-12-8-9-13-19(17)31(22)15(2)3/h5-15,20H,4H2,1-3H3,(H,26,28,32)/t20-/m0/s1

InChI Key

DLKQJRFPHYSNGG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06196109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.64

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

6.373

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-5.82

Polar Surface Area

67.191

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6623-1382 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 6623-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1382?
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What is the minimum amount of 6623-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1382
  • 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 6623-1382 available by request