D103-1159 Screening compound: 7-methyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

D103-1159 Screening compound: 7-methyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide
D103-1159 Screening compound: 7-methyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1159
7-methyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-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

D103-1159

Molecular Formula

C26H23N3O4S (C26 H23 N3 O4 S)

Compound Name

7-methyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

IUPAC name

7-methyl-4-oxo-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4567-tetrahydro-1-benzothiophen-2-yl)-4H-chromene-2-carboxamide

SMILES

Cc(cc1)cc(OC(C(Nc2c(C(NCc3cnccc3)=O)c(CCCC3)c3s2)=O)=C2)c1C2=O

InChI

InChI=1S/C26H23N3O4S/c1-15-8-9-17-19(30)12-21(33-20(17)11-15)24(31)29-26-23(18-6-2-3-7-22(18)34-26)25(32)28-14-16-5-4-10-27-13-16/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,28,32)(H,29,31)

InChI Key

TVIINHCTJQZJBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-4.08

Polar Surface Area

78.794

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D103-1159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D103-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1159?
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What is the minimum amount of D103-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1159
  • 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 D103-1159 available by request