8020-3481 Screening compound: 3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

8020-3481 Screening compound: 3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
8020-3481 Screening compound: 3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3481
3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

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

8020-3481

Molecular Formula

C13H15IN4O (C13 H15 IN4 O)

Compound Name

3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

IUPAC name

3-iodo-88-dimethyl-6-oxo-1-(propan-2-yl)-27-diazabicyclo[3.2.1]oct-3-ene-45-dicarbonitrile

SMILES

CC(C)C(C(C)(C)C12C#N)(NC2=O)NC(I)=C1C#N

InChI

InChI=1S/C13H15IN4O/c1-7(2)13-11(3,4)12(6-16,10(19)18-13)8(5-15)9(14)17-13/h7,17H,1-4H3,(H,18,19)

InChI Key

DFCFPXHEGWFHHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-2.67

Polar Surface Area

71.410

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with 8020-3481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3481?
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What is the minimum amount of 8020-3481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3481
  • 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 8020-3481 available by request