8019-4031 Screening compound: 2-[3-(2-hydroxy-5-nitrophenyl)adamantan-1-yl]-4-nitrophenol

8019-4031 Screening compound: 2-[3-(2-hydroxy-5-nitrophenyl)adamantan-1-yl]-4-nitrophenol
8019-4031 Screening compound: 2-[3-(2-hydroxy-5-nitrophenyl)adamantan-1-yl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4031
2-[3-(2-hydroxy-5-nitrophenyl)adamantan-1-yl]-4-nitrophenol

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

8019-4031

Molecular Formula

C22H22N2O6 (C22 H22 N2 O6)

Compound Name

2-[3-(2-hydroxy-5-nitrophenyl)adamantan-1-yl]-4-nitrophenol

IUPAC name

2-[3-(2-hydroxy-5-nitrophenyl)adamantan-1-yl]-4-nitrophenol

SMILES

[O-][N+](c(cc1)cc(C(CC(C2)C3)(CC2C2)CC23c(cc(cc2)[N+]([O-])=O)c2O)c1O)=O

InChI

InChI=1S/C22H22N2O6/c25-19-3-1-15(23(27)28)6-17(19)21-8-13-5-14(9-21)11-22(10-13,12-21)18-7-16(24(29)30)2-4-20(18)26/h1-4,6-7,13-14,25-26H,5,8-12H2

InChI Key

SOBGCFKNINSGNC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.045

Distribution Coefficient, logD

6.736

Water Solubility, LogSw

-6.02

Polar Surface Area

99.588

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 8019-4031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4031?
Check Price and Availability of 8019-4031, 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 8019-4031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4031
  • 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 8019-4031 available by request