8019-6788 Screening compound: 7-methyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

8019-6788 Screening compound: 7-methyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
8019-6788 Screening compound: 7-methyl-4-[4-(trifluoromethyl)phenyl]-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 8019-6788
7-methyl-4-[4-(trifluoromethyl)phenyl]-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

8019-6788

Molecular Formula

C19H18F3NOS (C19 H18 F3 NOS)

Compound Name

7-methyl-4-[4-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

IUPAC name

11-methyl-3-[4-(trifluoromethyl)phenyl]-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-one

SMILES

CC(CC1)Cc2c1c(C(CC(N1)=O)c3ccc(C(F)(F)F)cc3)c1s2

InChI

InChI=1S/C19H18F3NOS/c1-10-2-7-13-15(8-10)25-18-17(13)14(9-16(24)23-18)11-3-5-12(6-4-11)19(20,21)22/h3-6,10,14H,2,7-9H2,1H3,(H,23,24)

InChI Key

NLMOBQMMOIAEES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.09

Polar Surface Area

24.611

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

8019-6788 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-6788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6788?
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What is the minimum amount of 8019-6788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6788
  • 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 8019-6788 available by request