2219-0135 Screening compound: 5-[2-(9H-carbazol-9-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

2219-0135 Screening compound: 5-[2-(9H-carbazol-9-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
2219-0135 Screening compound: 5-[2-(9H-carbazol-9-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0135
5-[2-(9H-carbazol-9-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

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

2219-0135

Molecular Formula

C23H20N4OS (C23 H20 N4 OS)

Compound Name

5-[2-(9H-carbazol-9-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-[2-(9H-carbazol-9-yl)ethyl]-4-(4-methoxyphenyl)-4H-124-triazole-3-thiol

SMILES

COc(cc1)ccc1-n1c(S)nnc1CCn1c(cccc2)c2c2c1cccc2

InChI

InChI=1S/C23H20N4OS/c1-28-17-12-10-16(11-13-17)27-22(24-25-23(27)29)14-15-26-20-8-4-2-6-18(20)19-7-3-5-9-21(19)26/h2-13H,14-15H2,1H3,(H,25,29)

InChI Key

MRZTVNROKKXHRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-4.82

Polar Surface Area

32.931

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2219-0135 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2219-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0135?
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What is the minimum amount of 2219-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0135
  • 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 2219-0135 available by request