C291-0114 Screening compound: 3-amino-N5-(2,4-dimethylphenyl)-N2-(4-fluorophenyl)-6-methyl-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

C291-0114 Screening compound: 3-amino-N5-(2,4-dimethylphenyl)-N2-(4-fluorophenyl)-6-methyl-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
C291-0114 Screening compound: 3-amino-N5-(2,4-dimethylphenyl)-N2-(4-fluorophenyl)-6-methyl-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C291-0114
3-amino-N5-(2,4-dimethylphenyl)-N2-(4-fluorophenyl)-6-methyl-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

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

C291-0114

Molecular Formula

C29H25FN4O3S (C29 H25 FN4 O3 S)

Compound Name

3-amino-N5-(2,4-dimethylphenyl)-N2-(4-fluorophenyl)-6-methyl-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

IUPAC name

3-amino-N5-(24-dimethylphenyl)-N2-(4-fluorophenyl)-6-methyl-4-(5-methylfuran-2-yl)thieno[23-b]pyridine-25-dicarboxamide

SMILES

Cc1ccc(-c2c(c(N)c(C(Nc(cc3)ccc3F)=O)s3)c3nc(C)c2C(Nc2c(C)cc(C)cc2)=O)o1

InChI

InChI=1S/C29H25FN4O3S/c1-14-5-11-20(15(2)13-14)34-27(35)22-17(4)32-29-24(23(22)21-12-6-16(3)37-21)25(31)26(38-29)28(36)33-19-9-7-18(30)8-10-19/h5-13H,31H2,1-4H3,(H,33,36)(H,34,35)

InChI Key

WGFYAYVMQQUTRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-5.83

Polar Surface Area

83.227

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C291-0114 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C291-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C291-0114?
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What is the minimum amount of C291-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C291-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C291-0114
  • 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 C291-0114 available by request