0111-0168 Screening compound: N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]acetamide

0111-0168 Screening compound: N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]acetamide
0111-0168 Screening compound: N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0168
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]acetamide

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

0111-0168

Molecular Formula

C15H20N2OS (C15 H20 N2 OS)

Compound Name

N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]acetamide

IUPAC name

N-[4-(adamantan-1-yl)-13-thiazol-2-yl]acetamide

SMILES

CC(Nc1nc(C2(CC(C3)C4)CC4CC3C2)cs1)=O

InChI

InChI=1S/C15H20N2OS/c1-9(18)16-14-17-13(8-19-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18)

InChI Key

QUXPFBZULIGLQK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.14

Polar Surface Area

33.308

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

0111-0168 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0111-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0168?
Check Price and Availability of 0111-0168, 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 0111-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0168
  • 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 0111-0168 available by request