2563-0008 Screening compound: 3-(adamantan-1-yl)-1-(thiophen-2-yl)prop-2-yn-1-ol

2563-0008 Screening compound: 3-(adamantan-1-yl)-1-(thiophen-2-yl)prop-2-yn-1-ol
2563-0008 Screening compound: 3-(adamantan-1-yl)-1-(thiophen-2-yl)prop-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2563-0008
3-(adamantan-1-yl)-1-(thiophen-2-yl)prop-2-yn-1-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

2563-0008

Molecular Formula

C17H20OS (C17 H20 OS)

Compound Name

3-(adamantan-1-yl)-1-(thiophen-2-yl)prop-2-yn-1-ol

IUPAC name

3-(adamantan-1-yl)-1-(thiophen-2-yl)prop-2-yn-1-ol

SMILES

OC(c1cccs1)C#CC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C17H20OS/c18-15(16-2-1-5-19-16)3-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-15,18H,6-11H2/t12?,13?,14?,15-,17?/m1/s1

InChI Key

IWGTZDMCLMUFAF-UZZMVUAXSA-N

MDL Number (MFCD)

MFCD14757532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

4.698

Water Solubility, LogSw

-4.60

Polar Surface Area

17.171

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

2563-0008 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2563-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2563-0008?
Check Price and Availability of 2563-0008, 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 2563-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2563-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2563-0008
  • 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 2563-0008 available by request