0161-0472 Screening compound: 1-(4-methyl-3-nitrophenyl)adamantane

0161-0472 Screening compound: 1-(4-methyl-3-nitrophenyl)adamantane
0161-0472 Screening compound: 1-(4-methyl-3-nitrophenyl)adamantane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0161-0472
1-(4-methyl-3-nitrophenyl)adamantane

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

0161-0472

Molecular Formula

C17H21NO2 (C17 H21 NO2)

Compound Name

1-(4-methyl-3-nitrophenyl)adamantane

IUPAC name

1-(4-methyl-3-nitrophenyl)adamantane

SMILES

Cc(ccc(C1(CC(C2)C3)CC3CC2C1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H21NO2/c1-11-2-3-15(7-16(11)18(19)20)17-8-12-4-13(9-17)6-14(5-12)10-17/h2-3,7,12-14H,4-6,8-10H2,1H3

InChI Key

BFMKTCAZALKRLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.681

Distribution Coefficient, logD

5.681

Water Solubility, LogSw

-5.54

Polar Surface Area

33.081

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

0161-0472 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0161-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0161-0472?
Check Price and Availability of 0161-0472, 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 0161-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0161-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0161-0472
  • 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 0161-0472 available by request