0334-0127 Screening compound: methyl N-(adamantan-1-yl)carbamate

0334-0127 Screening compound: methyl N-(adamantan-1-yl)carbamate
0334-0127 Screening compound: methyl N-(adamantan-1-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0334-0127
methyl N-(adamantan-1-yl)carbamate

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

0334-0127

Molecular Formula

C12H19NO2 (C12 H19 NO2)

Compound Name

methyl N-(adamantan-1-yl)carbamate

IUPAC name

methyl N-(adamantan-1-yl)carbamate

SMILES

COC(NC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C12H19NO2/c1-15-11(14)13-12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3,(H,13,14)

InChI Key

KVYWCOQWNCLBCI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.29

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

2.571

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.69

Polar Surface Area

33.120

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

91.70

0334-0127 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 0334-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0334-0127?
Check Price and Availability of 0334-0127, 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 0334-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0334-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0334-0127
  • 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 0334-0127 available by request