4386-4359 Screening compound: 2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

4386-4359 Screening compound: 2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
4386-4359 Screening compound: 2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4359
2-butyl-6,6-dimethyl-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

4386-4359

Molecular Formula

C14H24N4O4 (C14 H24 N4 O4)

Compound Name

2-butyl-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

IUPAC name

2-butyl-66-dimethyl-57-dinitro-13-diazatricyclo[3.3.1.1^{37}]decane

SMILES

CCCCC(N(CC(C1)(C2(C)C)[N+]([O-])=O)C3)N1CC23[N+]([O-])=O

InChI

InChI=1S/C14H24N4O4/c1-4-5-6-11-15-7-13(17(19)20)8-16(11)10-14(9-15,18(21)22)12(13,2)3/h11H,4-10H2,1-3H3

InChI Key

FVVKVTSFTDLWOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03180360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.667

Distribution Coefficient, logD

2.667

Water Solubility, LogSw

-2.47

Polar Surface Area

71.958

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

4386-4359 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4386-4359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4359?
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What is the minimum amount of 4386-4359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4359
  • 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 4386-4359 available by request