M435-1488 Screening compound: methyl 3-{[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}benzoate

M435-1488 Screening compound: methyl 3-{[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}benzoate
M435-1488 Screening compound: methyl 3-{[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M435-1488
methyl 3-{[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-3-yl)carbonyl]amino}benzoate

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

M435-1488

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)Cc2c1c(C(O)=C(C(Nc1cc(C(OC)=O)ccc1)=O)C(N1)=O)c1s2

InChI

InChI=1S/C21H20N2O5S/c1-10-6-7-13-14(8-10)29-20-15(13)17(24)16(19(26)23-20)18(25)22-12-5-3-4-11(9-12)21(27)28-2/h3-5,9-10H,6-8H2,1-2H3,(H,22,25)(H2,23,24,26)/t10-/m1/s1

InChI Key

QJIGGLVPRNCAIS-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD27541420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

-0.024

Water Solubility, LogSw

-4.27

Polar Surface Area

84.275

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with M435-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1488?
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What is the minimum amount of M435-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1488
  • 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 M435-1488 available by request