M435-1470 Screening compound: ethyl 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

M435-1470 Screening compound: ethyl 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
M435-1470 Screening compound: ethyl 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 M435-1470
ethyl 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

M435-1470

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

ethyl 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

ethyl 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

CCOC(c1cccc(NC(C(C(Nc2c3c(CCC(C)C4)c4s2)=O)=C3O)=O)c1)=O

InChI

InChI=1S/C22H22N2O5S/c1-3-29-22(28)12-5-4-6-13(10-12)23-19(26)17-18(25)16-14-8-7-11(2)9-15(14)30-21(16)24-20(17)27/h4-6,10-11H,3,7-9H2,1-2H3,(H,23,26)(H2,24,25,27)/t11-/m1/s1

InChI Key

XQKQLWDPDLJFJC-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27541409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

0.486

Water Solubility, LogSw

-4.32

Polar Surface Area

83.855

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with M435-1470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1470?
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What is the minimum amount of M435-1470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1470
  • 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 M435-1470 available by request