8016-6890 Screening compound: (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone

8016-6890 Screening compound: (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone
8016-6890 Screening compound: (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6890
(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone

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

8016-6890

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone

IUPAC name

6-ethyl-2-(1234-tetrahydroisoquinoline-2-carbonyl)-5H6H7H8H-thieno[23-b]16-naphthyridin-3-amine

SMILES

CCN(CC1)Cc(cc23)c1nc2sc(C(N(CC1)Cc2c1cccc2)=O)c3N

InChI

InChI=1S/C22H24N4OS/c1-2-25-9-8-18-16(12-25)11-17-19(23)20(28-21(17)24-18)22(27)26-10-7-14-5-3-4-6-15(14)13-26/h3-6,11H,2,7-10,12-13,23H2,1H3

InChI Key

WUCKZOSKFXRLQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.72

Polar Surface Area

50.547

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8016-6890 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 8016-6890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6890?
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What is the minimum amount of 8016-6890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6890
  • 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 8016-6890 available by request