3535-0310 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

3535-0310 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one
3535-0310 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0310
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-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

3535-0310

Molecular Formula

C16H16N4OS2 (C16 H16 N4 OS2)

Compound Name

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

IUPAC name

2-[(5-amino-134-thiadiazol-2-yl)sulfanyl]-1-(2349-tetrahydro-1H-carbazol-9-yl)ethan-1-one

SMILES

Nc1nnc(SCC(n2c(cccc3)c3c3c2CCCC3)=O)s1

InChI

InChI=1S/C16H16N4OS2/c17-15-18-19-16(23-15)22-9-14(21)20-12-7-3-1-5-10(12)11-6-2-4-8-13(11)20/h1,3,5,7H,2,4,6,8-9H2,(H2,17,18)

InChI Key

YEZMAIZHCPDTHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.10

Polar Surface Area

58.419

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3535-0310 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3535-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0310?
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What is the minimum amount of 3535-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0310
  • 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 3535-0310 available by request