M435-1277 Screening compound: 2-(4-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}phenyl)acetic acid

M435-1277 Screening compound: 2-(4-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}phenyl)acetic acid
M435-1277 Screening compound: 2-(4-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}phenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound M435-1277
2-(4-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}phenyl)acetic acid

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

M435-1277

Molecular Formula

C20H18N2O5S (C20 H18 N2 O5 S)

Compound Name

2-(4-{[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}phenyl)acetic acid

IUPAC name

2-(4-{3-hydroxy-5-oxo-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-triene-4-amido}phenyl)acetic acid

SMILES

OC(Cc(cc1)ccc1NC(C(C(Nc1c2c(CCCC3)c3s1)=O)=C2O)=O)=O

InChI

InChI=1S/C20H18N2O5S/c23-14(24)9-10-5-7-11(8-6-10)21-18(26)16-17(25)15-12-3-1-2-4-13(12)28-20(15)22-19(16)27/h5-8H,1-4,9H2,(H,21,26)(H,23,24)(H2,22,25,27)

InChI Key

OYVADMFBIVRNEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

-1.452

Water Solubility, LogSw

-2.85

Polar Surface Area

91.485

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M435-1277 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M435-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1277?
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What is the minimum amount of M435-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1277
  • 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 M435-1277 available by request