8020-8308 Screening compound: 1-imino-5a-methoxy-4-methyl-3-oxooctahydrochromeno[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile

8020-8308 Screening compound: 1-imino-5a-methoxy-4-methyl-3-oxooctahydrochromeno[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile
8020-8308 Screening compound: 1-imino-5a-methoxy-4-methyl-3-oxooctahydrochromeno[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8308
1-imino-5a-methoxy-4-methyl-3-oxooctahydrochromeno[3,4-c]pyrrole-3a,9b(1H,4H)-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

8020-8308

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

1-imino-5a-methoxy-4-methyl-3-oxooctahydrochromeno[3,4-c]pyrrole-3a,9b(1H,4H)-dicarbonitrile

IUPAC name

n/a

SMILES

CC(C(C(C1CCCC2)(C(N3)=N)C#N)(C3=O)C#N)OC12OC

InChI

InChI=1S/C15H18N4O3/c1-9-13(7-16)12(20)19-11(18)14(13,8-17)10-5-3-4-6-15(10,21-2)22-9/h9-10H,3-6H2,1-2H3,(H2,18,19,20)

InChI Key

XNSHDJIQIFEJFJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.225

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-1.87

Polar Surface Area

92.103

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

73.30

References: we are preparing a list of scientific research reports with 8020-8308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8308?
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What is the minimum amount of 8020-8308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8308
  • 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 8020-8308 available by request