8016-5942 Screening compound: (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(4-fluorophenyl)methanone

8016-5942 Screening compound: (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(4-fluorophenyl)methanone
8016-5942 Screening compound: (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(4-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5942
(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(4-fluorophenyl)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

8016-5942

Molecular Formula

C19H18FN3OS (C19 H18 FN3 OS)

Compound Name

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

IUPAC name

6-ethyl-2-(4-fluorobenzoyl)-5H6H7H8H-thieno[23-b]16-naphthyridin-3-amine

SMILES

CCN(CC1)Cc(cc23)c1nc2sc(C(c(cc1)ccc1F)=O)c3N

InChI

InChI=1S/C19H18FN3OS/c1-2-23-8-7-15-12(10-23)9-14-16(21)18(25-19(14)22-15)17(24)11-3-5-13(20)6-4-11/h3-6,9H,2,7-8,10,21H2,1H3

InChI Key

MBIZHMFRIKKQKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-4.05

Polar Surface Area

47.704

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8016-5942 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5942?
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What is the minimum amount of 8016-5942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5942
  • 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 8016-5942 available by request