8013-2995 Screening compound: {4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridin-2-yl}(morpholino)methanone

8013-2995 Screening compound: {4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridin-2-yl}(morpholino)methanone
8013-2995 Screening compound: {4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridin-2-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2995
{4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridin-2-yl}(morpholino)methanone

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

8013-2995

Molecular Formula

C33H32N3O3PS (C33 H32 N3 O3 PS)

Compound Name

{4-(methoxymethyl)-6-methyl-3-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]thieno[2,3-b]pyridin-2-yl}(morpholino)methanone

IUPAC name

N-[4-(methoxymethyl)-6-methyl-2-(morpholine-4-carbonyl)thieno[23-b]pyridin-3-yl]-111-triphenyl-lambda5-phosphanimine

SMILES

Cc1cc(COC)c(c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(N2CCOCC2)=O)s2)c2n1

InChI

InChI=1S/C33H32N3O3PS/c1-24-22-25(23-38-2)29-30(31(41-32(29)34-24)33(37)36-18-20-39-21-19-36)35-40(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,22H,18-21,23H2,1-2H3

InChI Key

IIBDYOJHUXWZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.367

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-5.77

Polar Surface Area

46.161

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

References: we are preparing a list of scientific research reports with 8013-2995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2995?
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What is the minimum amount of 8013-2995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2995
  • 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 8013-2995 available by request