3785-0234 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(9H-carbazol-9-yl)ethan-1-one

3785-0234 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(9H-carbazol-9-yl)ethan-1-one
3785-0234 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(9H-carbazol-9-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3785-0234
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(9H-carbazol-9-yl)ethan-1-one

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

3785-0234

Molecular Formula

C21H15N3OS (C21 H15 N3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(9H-carbazol-9-yl)ethan-1-one

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-1-(9H-carbazol-9-yl)ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)n1c(cccc2)c2c2c1cccc2

InChI

InChI=1S/C21H15N3OS/c25-20(13-26-21-22-16-9-3-4-10-17(16)23-21)24-18-11-5-1-7-14(18)15-8-2-6-12-19(15)24/h1-12H,13H2,(H,22,23)

InChI Key

SGEJQEJZADKBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02198041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.48

Polar Surface Area

32.367

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3785-0234 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 3785-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0234?
Check Price and Availability of 3785-0234, 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 3785-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0234
  • 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 3785-0234 available by request