8017-5627 Screening compound: N~2~-(5-chloro-2-methylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

8017-5627 Screening compound: N~2~-(5-chloro-2-methylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
8017-5627 Screening compound: N~2~-(5-chloro-2-methylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5627
N~2~-(5-chloro-2-methylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-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

8017-5627

Molecular Formula

C25H22ClN3O3S (C25 H22 ClN3 O3 S)

Compound Name

N~2~-(5-chloro-2-methylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-3-(2-methoxybenzamido)-46-dimethylthieno[23-b]pyridine-2-carboxamide

SMILES

Cc1cc(C)nc2c1c(NC(c(cccc1)c1OC)=O)c(C(Nc1c(C)ccc(Cl)c1)=O)s2

InChI

InChI=1S/C25H22ClN3O3S/c1-13-9-10-16(26)12-18(13)28-24(31)22-21(20-14(2)11-15(3)27-25(20)33-22)29-23(30)17-7-5-6-8-19(17)32-4/h5-12H,1-4H3,(H,28,31)(H,29,30)

InChI Key

WOJQCDPTAUVWIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.92

Polar Surface Area

61.485

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8017-5627 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Arginine Methyltransferases Library (27925 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 8017-5627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5627?
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What is the minimum amount of 8017-5627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5627
  • 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 8017-5627 available by request