8020-8282 Screening compound: 2-amino-7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-3-yl cyanide

8020-8282 Screening compound: 2-amino-7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-3-yl cyanide
8020-8282 Screening compound: 2-amino-7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8282
2-amino-7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-3-yl cyanide

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

8020-8282

Molecular Formula

C19H16N2O5 (C19 H16 N2 O5)

Compound Name

2-amino-7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-3-yl cyanide

IUPAC name

2-amino-7-methoxy-4-(7-methoxy-2H-13-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

SMILES

COc1cc(OC(N)=C(C2c3cc(OC)c4OCOc4c3)C#N)c2cc1

InChI

InChI=1S/C19H16N2O5/c1-22-11-3-4-12-14(7-11)26-19(21)13(8-20)17(12)10-5-15(23-2)18-16(6-10)24-9-25-18/h3-7,17H,9,21H2,1-2H3/t17-/m1/s1

InChI Key

XTZHMXZWOYQROR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31943917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-3.20

Polar Surface Area

78.268

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

8020-8282 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8020-8282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8282?
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What is the minimum amount of 8020-8282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8282
  • 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 8020-8282 available by request