5867-0063 Screening compound: 3-amino-N-(2-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

5867-0063 Screening compound: 3-amino-N-(2-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
5867-0063 Screening compound: 3-amino-N-(2-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-0063
3-amino-N-(2-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

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

5867-0063

Molecular Formula

C27H24FN3O3S (C27 H24 FN3 O3 S)

Compound Name

3-amino-N-(2-fluorophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

3-amino-N-(2-fluorophenyl)-4-(4-methoxyphenyl)-77-dimethyl-5-oxo-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide

SMILES

CC(C)(Cc1c2c(-c(cc3)ccc3OC)c(c(N)c(C(Nc(cccc3)c3F)=O)s3)c3n1)CC2=O

InChI

InChI=1S/C27H24FN3O3S/c1-27(2)12-18-21(19(32)13-27)20(14-8-10-15(34-3)11-9-14)22-23(29)24(35-26(22)31-18)25(33)30-17-7-5-4-6-16(17)28/h4-11H,12-13,29H2,1-3H3,(H,30,33)

InChI Key

JHRKRSMQVGWKOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.71

Polar Surface Area

73.680

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5867-0063 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5867-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-0063?
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What is the minimum amount of 5867-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-0063
  • 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 5867-0063 available by request