D427-0166 Screening compound: N-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]adamantane-1-carboxamide

D427-0166 Screening compound: N-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]adamantane-1-carboxamide
D427-0166 Screening compound: N-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D427-0166
N-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]adamantane-1-carboxamide

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

D427-0166

Molecular Formula

C23H27NO2S (C23 H27 NO2 S)

Compound Name

N-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]adamantane-1-carboxamide

IUPAC name

N-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]adamantane-1-carboxamide

SMILES

COc1cccc(N(Cc2cccs2)C(C2(CC(C3)C4)CC4CC3C2)=O)c1

InChI

InChI=1S/C23H27NO2S/c1-26-20-5-2-4-19(11-20)24(15-21-6-3-7-27-21)22(25)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,11,16-18H,8-10,12-15H2,1H3

InChI Key

HNIVQVUWCHMISM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-5.55

Polar Surface Area

24.185

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

D427-0166 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D427-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D427-0166?
Check Price and Availability of D427-0166, 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 D427-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D427-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D427-0166
  • 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 D427-0166 available by request