8019-7297 Screening compound: 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8019-7297 Screening compound: 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8019-7297 Screening compound: 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7297
2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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

8019-7297

Molecular Formula

C22H23ClN2O6 (C22 H23 ClN2 O6)

Compound Name

2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-[6-(2-chloropropyl)-47-dimethoxy-2H-13-benzodioxol-5-yl]-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(Cc(c(C1C(C#N)=C(N)OC(CCC2)=C1C2=O)c(c1c2OCO1)OC)c2OC)Cl

InChI

InChI=1S/C22H23ClN2O6/c1-10(23)7-11-16(19(28-3)21-20(18(11)27-2)29-9-30-21)15-12(8-24)22(25)31-14-6-4-5-13(26)17(14)15/h10,15H,4-7,9,25H2,1-3H3

InChI Key

QQRVEBGQQXXYNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.25

Polar Surface Area

91.520

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

8019-7297 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-7297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7297?
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What is the minimum amount of 8019-7297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7297
  • 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 8019-7297 available by request