8019-3875 Screening compound: 4-(adamantan-1-yl)-N-methyl-2-nitroaniline

8019-3875 Screening compound: 4-(adamantan-1-yl)-N-methyl-2-nitroaniline
8019-3875 Screening compound: 4-(adamantan-1-yl)-N-methyl-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3875
4-(adamantan-1-yl)-N-methyl-2-nitroaniline

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

8019-3875

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

4-(adamantan-1-yl)-N-methyl-2-nitroaniline

IUPAC name

4-(adamantan-1-yl)-N-methyl-2-nitroaniline

SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-18-15-3-2-14(7-16(15)19(20)21)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13,18H,4-6,8-10H2,1H3

InChI Key

QXTHEDXWJYYYMK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.24

Polar Surface Area

43.040

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 8019-3875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3875?
Check Price and Availability of 8019-3875, 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 8019-3875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3875
  • 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 8019-3875 available by request