M435-1490 Screening compound: N~3~-(3-chloro-2-fluorophenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

M435-1490 Screening compound: N~3~-(3-chloro-2-fluorophenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
M435-1490 Screening compound: N~3~-(3-chloro-2-fluorophenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M435-1490
N~3~-(3-chloro-2-fluorophenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-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

M435-1490

Molecular Formula

C19H16ClFN2O3S (C19 H16 ClFN2 O3 S)

Compound Name

N~3~-(3-chloro-2-fluorophenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

IUPAC name

N-(3-chloro-2-fluorophenyl)-3-hydroxy-11-methyl-5-oxo-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-triene-4-carboxamide

SMILES

CC(CC1)Cc2c1c(C(O)=C(C(Nc1cccc(Cl)c1F)=O)C(N1)=O)c1s2

InChI

InChI=1S/C19H16ClFN2O3S/c1-8-5-6-9-12(7-8)27-19-13(9)16(24)14(18(26)23-19)17(25)22-11-4-2-3-10(20)15(11)21/h2-4,8H,5-7H2,1H3,(H,22,25)(H2,23,24,26)/t8-/m1/s1

InChI Key

UTZQLVZZNRWRTB-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD27541422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

0.446

Water Solubility, LogSw

-4.18

Polar Surface Area

62.403

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

M435-1490 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M435-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1490?
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What is the minimum amount of M435-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1490
  • 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 M435-1490 available by request