7287-0257 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide

7287-0257 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide
7287-0257 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0257
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-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

7287-0257

Molecular Formula

C23H19N3O2S2 (C23 H19 N3 O2 S2)

Compound Name

N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide

SMILES

CC(C)(Cc1c2sc(NC(c3cc(-c4cccs4)nc4ccccc34)=O)n1)CC2=O

InChI

InChI=1S/C23H19N3O2S2/c1-23(2)11-17-20(18(27)12-23)30-22(25-17)26-21(28)14-10-16(19-8-5-9-29-19)24-15-7-4-3-6-13(14)15/h3-10H,11-12H2,1-2H3,(H,25,26,28)

InChI Key

AJBVBTFKXJVQTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.619

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.63

Polar Surface Area

57.123

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

7287-0257 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7287-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0257?
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What is the minimum amount of 7287-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0257
  • 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 7287-0257 available by request