0508-1848 Screening compound: (adamantan-1-yl)methyl 3,5-dinitrobenzoate

0508-1848 Screening compound: (adamantan-1-yl)methyl 3,5-dinitrobenzoate
0508-1848 Screening compound: (adamantan-1-yl)methyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0508-1848
(adamantan-1-yl)methyl 3,5-dinitrobenzoate

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

0508-1848

Molecular Formula

C18H20N2O6 (C18 H20 N2 O6)

Compound Name

(adamantan-1-yl)methyl 3,5-dinitrobenzoate

IUPAC name

(adamantan-1-yl)methyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(OCC2(CC(C3)C4)CC4CC3C2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C18H20N2O6/c21-17(14-4-15(19(22)23)6-16(5-14)20(24)25)26-10-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,11-13H,1-3,7-10H2

InChI Key

SGDSIRSJYXTFJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.27

Polar Surface Area

87.892

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 0508-1848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0508-1848?
Check Price and Availability of 0508-1848, 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 0508-1848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0508-1848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0508-1848
  • 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 0508-1848 available by request