4461-8111 Screening compound: 4-(adamantan-1-yl)-2-phenyl-1,3-thiazole

4461-8111 Screening compound: 4-(adamantan-1-yl)-2-phenyl-1,3-thiazole
4461-8111 Screening compound: 4-(adamantan-1-yl)-2-phenyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4461-8111
4-(adamantan-1-yl)-2-phenyl-1,3-thiazole

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

4461-8111

Molecular Formula

C19H21NS (C19 H21 NS)

Compound Name

4-(adamantan-1-yl)-2-phenyl-1,3-thiazole

IUPAC name

4-(adamantan-1-yl)-2-phenyl-13-thiazole

SMILES

C(C(CC(C1)C2)C3)C1CC23c1csc(-c2ccccc2)n1

InChI

InChI=1S/C19H21NS/c1-2-4-16(5-3-1)18-20-17(12-21-18)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,12-15H,6-11H2

InChI Key

HZBHWQXEAKUKLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02042421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.45

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.341

Distribution Coefficient, logD

6.341

Water Solubility, LogSw

-6.35

Polar Surface Area

9.734

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

4461-8111 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4461-8111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4461-8111?
Check Price and Availability of 4461-8111, 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 4461-8111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4461-8111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4461-8111
  • 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 4461-8111 available by request