8019-9532 Screening compound: 2-imino-5-methyl-4-phenyl-4-{[(propan-2-ylidene)amino]oxy}-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile

8019-9532 Screening compound: 2-imino-5-methyl-4-phenyl-4-{[(propan-2-ylidene)amino]oxy}-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
8019-9532 Screening compound: 2-imino-5-methyl-4-phenyl-4-{[(propan-2-ylidene)amino]oxy}-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9532
2-imino-5-methyl-4-phenyl-4-{[(propan-2-ylidene)amino]oxy}-3-oxabicyclo[3.1.0]hexane-1,6,6-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

8019-9532

Molecular Formula

C18H15N5O2 (C18 H15 N5 O2)

Compound Name

2-imino-5-methyl-4-phenyl-4-{[(propan-2-ylidene)amino]oxy}-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile

IUPAC name

2-imino-5-methyl-4-phenyl-4-{[(propan-2-ylidene)amino]oxy}-3-oxabicyclo[3.1.0]hexane-166-tricarbonitrile

SMILES

CC(C12C#N)(C2(C#N)C#N)C(c2ccccc2)(ON=C(C)C)OC1=N

InChI

InChI=1S/C18H15N5O2/c1-12(2)23-25-18(13-7-5-4-6-8-13)15(3)16(9-19,10-20)17(15,11-21)14(22)24-18/h4-8,22H,1-3H3

InChI Key

AZSRYZCKCCBBQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-2.59

Polar Surface Area

94.998

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8019-9532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9532?
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What is the minimum amount of 8019-9532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9532
  • 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 8019-9532 available by request