8010-3832 Screening compound: 12-imino-9-propyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile

8010-3832 Screening compound: 12-imino-9-propyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile
8010-3832 Screening compound: 12-imino-9-propyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3832
12-imino-9-propyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile

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

8010-3832

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

12-imino-9-propyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile

IUPAC name

12-imino-9-propyl-1011-dioxatricyclo[5.3.2.0^{16}]dodecane-788-tricarbonitrile

SMILES

CCCC(C(C1(C2CCCC3)C#N)(C#N)C#N)OC23OC1=N

InChI

InChI=1S/C16H18N4O2/c1-2-5-12-14(8-17,9-18)15(10-19)11-6-3-4-7-16(11,21-12)22-13(15)20/h11-12,20H,2-7H2,1H3

InChI Key

QSYAOBUMIKSMLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.40

Polar Surface Area

84.528

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

75.00

8010-3832 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 8010-3832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3832?
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What is the minimum amount of 8010-3832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3832
  • 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 8010-3832 available by request