8012-6822 Screening compound: ethyl 4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridine-2-carboxylate

8012-6822 Screening compound: ethyl 4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridine-2-carboxylate
8012-6822 Screening compound: ethyl 4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6822
ethyl 4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridine-2-carboxylate

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

8012-6822

Molecular Formula

C31H29N2O3PS (C31 H29 N2 O3 PS)

Compound Name

ethyl 4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridine-2-carboxylate

IUPAC name

ethyl 4-(methoxymethyl)-6-methyl-3-[(triphenyl-lambda5-phosphanylidene)amino]thieno[23-b]pyridine-2-carboxylate

SMILES

CCOC(c(sc1nc(C)cc(COC)c11)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C31H29N2O3PS/c1-4-36-31(34)29-28(27-23(21-35-3)20-22(2)32-30(27)38-29)33-37(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-20H,4,21H2,1-3H3

InChI Key

UUUCDRPVLKBYCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.499

Distribution Coefficient, logD

7.499

Water Solubility, LogSw

-5.90

Polar Surface Area

42.358

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with 8012-6822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6822?
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What is the minimum amount of 8012-6822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6822
  • 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 8012-6822 available by request