8020-1284 Screening compound: 6-benzyl-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridin-3-amine

8020-1284 Screening compound: 6-benzyl-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridin-3-amine
8020-1284 Screening compound: 6-benzyl-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1284
6-benzyl-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridin-3-amine

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

8020-1284

Molecular Formula

C26H23N3O3S (C26 H23 N3 O3 S)

Compound Name

6-benzyl-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridin-3-amine

IUPAC name

6-benzyl-2-(23-dihydro-14-benzodioxine-6-carbonyl)-5H6H7H8H-thieno[23-b]16-naphthyridin-3-amine

SMILES

Nc1c(C(c(cc2)cc3c2OCCO3)=O)sc2nc(CCN(Cc3ccccc3)C3)c3cc12

InChI

InChI=1S/C26H23N3O3S/c27-23-19-12-18-15-29(14-16-4-2-1-3-5-16)9-8-20(18)28-26(19)33-25(23)24(30)17-6-7-21-22(13-17)32-11-10-31-21/h1-7,12-13H,8-11,14-15,27H2

InChI Key

FTYXTFZADBZJQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.29

Polar Surface Area

63.531

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8020-1284 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8020-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1284
  • 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 8020-1284 available by request