1750-0023 Screening compound: (1,2-dihydroacenaphthylen-5-yl)methanethiol

1750-0023 Screening compound: (1,2-dihydroacenaphthylen-5-yl)methanethiol
1750-0023 Screening compound: (1,2-dihydroacenaphthylen-5-yl)methanethiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1750-0023
(1,2-dihydroacenaphthylen-5-yl)methanethiol

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

1750-0023

Molecular Formula

C13H12S (C13 H12 S)

Compound Name

(1,2-dihydroacenaphthylen-5-yl)methanethiol

IUPAC name

(12-dihydroacenaphthylen-5-yl)methanethiol

SMILES

SCc1ccc(CC2)c3c2cccc13

InChI

InChI=1S/C13H12S/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-7,14H,4-5,8H2

InChI Key

BKRBXEASZKJRKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00460440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-5.18

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1750-0023 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1750-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1750-0023?
Check Price and Availability of 1750-0023, 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 1750-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1750-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1750-0023
  • 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 1750-0023 available by request