0991-0014 Screening compound: 5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole

0991-0014 Screening compound: 5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole
0991-0014 Screening compound: 5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0991-0014
5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole

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

0991-0014

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-1,2,3-triazole

IUPAC name

5-(adamantan-1-yl)-1-(4-nitrophenyl)-1H-123-triazole

SMILES

[O-][N+](c(cc1)ccc1-n1nncc1C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C18H20N4O2/c23-22(24)16-3-1-15(2-4-16)21-17(11-19-20-21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2

InChI Key

SMIRXXSRODYDGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

4.890

Water Solubility, LogSw

-4.83

Polar Surface Area

59.638

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

0991-0014 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0991-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0991-0014?
Check Price and Availability of 0991-0014, 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 0991-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0991-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0991-0014
  • 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 0991-0014 available by request