8019-7990 Screening compound: 7-(tert-butyl)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

8019-7990 Screening compound: 7-(tert-butyl)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
8019-7990 Screening compound: 7-(tert-butyl)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7990
7-(tert-butyl)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

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

8019-7990

Molecular Formula

C20H24N2OS (C20 H24 N2 OS)

Compound Name

7-(tert-butyl)-4-(4-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

IUPAC name

11-tert-butyl-3-(pyridin-4-yl)-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(CC(N1)=O)c3ccncc3)c1s2

InChI

InChI=1S/C20H24N2OS/c1-20(2,3)13-4-5-14-16(10-13)24-19-18(14)15(11-17(23)22-19)12-6-8-21-9-7-12/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,22,23)

InChI Key

IGHQMEYQTKCAJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.06

Polar Surface Area

34.039

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8019-7990 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8019-7990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7990?
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What is the minimum amount of 8019-7990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7990
  • 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 8019-7990 available by request