8019-9287 Screening compound: 2-amino-6-(4-methoxybenzoyl)-4,4-bis({[(propan-2-ylidene)amino]oxy})-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

8019-9287 Screening compound: 2-amino-6-(4-methoxybenzoyl)-4,4-bis({[(propan-2-ylidene)amino]oxy})-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
8019-9287 Screening compound: 2-amino-6-(4-methoxybenzoyl)-4,4-bis({[(propan-2-ylidene)amino]oxy})-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9287
2-amino-6-(4-methoxybenzoyl)-4,4-bis({[(propan-2-ylidene)amino]oxy})-3-azabicyclo[3.1.0]hex-2-ene-1,5-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

8019-9287

Molecular Formula

C21H22N6O4 (C21 H22 N6 O4)

Compound Name

2-amino-6-(4-methoxybenzoyl)-4,4-bis({[(propan-2-ylidene)amino]oxy})-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

IUPAC name

2-amino-6-(4-methoxybenzoyl)-44-bis({[(propan-2-ylidene)amino]oxy})-3-azabicyclo[3.1.0]hex-2-ene-15-dicarbonitrile

SMILES

CC(C)=NOC(C(C1C(c(cc2)ccc2OC)=O)(C11C#N)C#N)(N=C1N)ON=C(C)C

InChI

InChI=1S/C21H22N6O4/c1-12(2)26-30-21(31-27-13(3)4)20(11-23)17(19(20,10-22)18(24)25-21)16(28)14-6-8-15(29-5)9-7-14/h6-9,17H,1-5H3,(H2,24,25)

InChI Key

VIVHBVHMYYNJPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.894

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.19

Polar Surface Area

120.814

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8019-9287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9287?
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What is the minimum amount of 8019-9287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9287
  • 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 8019-9287 available by request