4817-1491 Screening compound: 2,6,6-trimethyl-2-(2-methyl-1-propenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

4817-1491 Screening compound: 2,6,6-trimethyl-2-(2-methyl-1-propenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
4817-1491 Screening compound: 2,6,6-trimethyl-2-(2-methyl-1-propenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4817-1491
2,6,6-trimethyl-2-(2-methyl-1-propenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

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

4817-1491

Molecular Formula

C15H24N4O4 (C15 H24 N4 O4)

Compound Name

2,6,6-trimethyl-2-(2-methyl-1-propenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

IUPAC name

266-trimethyl-2-(2-methylprop-1-en-1-yl)-57-dinitro-13-diazatricyclo[3.3.1.1^{37}]decane

SMILES

CC(C)(C(C1)(CN(C2)C(C)(C=C(C)C)N1C1)[N+]([O-])=O)C12[N+]([O-])=O

InChI

InChI=1S/C15H24N4O4/c1-11(2)6-13(5)16-7-14(18(20)21)8-17(13)10-15(9-16,19(22)23)12(14,3)4/h6H,7-10H2,1-5H3

InChI Key

NOGPHGOJCFWTMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03291962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.18

Polar Surface Area

71.626

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

86.70

References: we are preparing a list of scientific research reports with 4817-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4817-1491?
Check Price and Availability of 4817-1491, 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 4817-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4817-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4817-1491
  • 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 4817-1491 available by request