6623-1180 Screening compound: 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

6623-1180 Screening compound: 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
6623-1180 Screening compound: 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1180
2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(5-propyl-1,3,4-thiadiazol-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

6623-1180

Molecular Formula

C19H21N7OS2 (C19 H21 N7 OS2)

Compound Name

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

IUPAC name

2-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(5-propyl-134-thiadiazol-2-yl)butanamide

SMILES

CCCc1nnc(NC(C(CC)Sc2nnc(c(cccc3)c3n3C)c3n2)=O)s1

InChI

InChI=1S/C19H21N7OS2/c1-4-8-14-22-24-19(29-14)21-17(27)13(5-2)28-18-20-16-15(23-25-18)11-9-6-7-10-12(11)26(16)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,21,24,27)/t13-/m0/s1

InChI Key

GKJCDTHMORIEBF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02221753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.14

Polar Surface Area

81.191

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

6623-1180 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6623-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1180?
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What is the minimum amount of 6623-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1180
  • 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 6623-1180 available by request