5465-0013 Screening compound: 1-(9H-carbazol-9-yl)-3-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

5465-0013 Screening compound: 1-(9H-carbazol-9-yl)-3-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
5465-0013 Screening compound: 1-(9H-carbazol-9-yl)-3-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5465-0013
1-(9H-carbazol-9-yl)-3-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

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

5465-0013

Molecular Formula

C29H30N4OS (C29 H30 N4 OS)

Compound Name

1-(9H-carbazol-9-yl)-3-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

IUPAC name

1-(9H-carbazol-9-yl)-3-[(4-cyclohexyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]propan-2-ol

SMILES

OC(Cn1c(cccc2)c2c2c1cccc2)CSc1nnc(-c2ccccc2)n1C1CCCCC1

InChI

InChI=1S/C29H30N4OS/c34-23(19-32-26-17-9-7-15-24(26)25-16-8-10-18-27(25)32)20-35-29-31-30-28(21-11-3-1-4-12-21)33(29)22-13-5-2-6-14-22/h1,3-4,7-12,15-18,22-23,34H,2,5-6,13-14,19-20H2/t23-/m0/s1

InChI Key

BLMZJJYONBSCEM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02659807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.974

Distribution Coefficient, logD

6.974

Water Solubility, LogSw

-6.20

Polar Surface Area

42.140

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

5465-0013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5465-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5465-0013?
Check Price and Availability of 5465-0013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5465-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5465-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5465-0013
  • 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 5465-0013 available by request