8018-3791 Screening compound: 1-(pyridin-2-ylsulfanyl)-3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

8018-3791 Screening compound: 1-(pyridin-2-ylsulfanyl)-3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol
8018-3791 Screening compound: 1-(pyridin-2-ylsulfanyl)-3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3791
1-(pyridin-2-ylsulfanyl)-3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)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

8018-3791

Molecular Formula

C20H22N2OS (C20 H22 N2 OS)

Compound Name

1-(pyridin-2-ylsulfanyl)-3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

IUPAC name

1-(pyridin-2-ylsulfanyl)-3-(2349-tetrahydro-1H-carbazol-9-yl)propan-2-ol

SMILES

OC(Cn1c(cccc2)c2c2c1CCCC2)CSc1ncccc1

InChI

InChI=1S/C20H22N2OS/c23-15(14-24-20-11-5-6-12-21-20)13-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1,3,5-7,9,11-12,15,23H,2,4,8,10,13-14H2/t15-/m0/s1

InChI Key

KKVULXWNAMOYPI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07402224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.21

Polar Surface Area

26.373

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8018-3791 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-3791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3791?
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What is the minimum amount of 8018-3791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3791
  • 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 8018-3791 available by request