C905-0001 Screening compound: diethyl {[(4Z)-4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl](phenyl)methyl}phosphonate

C905-0001 Screening compound: diethyl {[(4Z)-4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl](phenyl)methyl}phosphonate
C905-0001 Screening compound: diethyl {[(4Z)-4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl](phenyl)methyl}phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C905-0001
diethyl {[(4Z)-4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl](phenyl)methyl}phosphonate

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

C905-0001

Molecular Formula

C27H36N3O3PS (C27 H36 N3 O3 PS)

Compound Name

diethyl {[(4Z)-4-[(2,6-dimethylphenyl)imino]-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl](phenyl)methyl}phosphonate

IUPAC name

diethyl {[(4Z)-4-[(26-dimethylphenyl)imino]-2-sulfanylidene-13-diazaspiro[4.5]decan-1-yl](phenyl)methyl}phosphonate

SMILES

CCOP(C(c1ccccc1)N(C1(CCCCC1)/C(/N1)=N/c2c(C)cccc2C)C1=S)(OCC)=O

InChI

InChI=1S/C27H36N3O3PS/c1-5-32-34(31,33-6-2)24(22-16-9-7-10-17-22)30-26(35)29-25(27(30)18-11-8-12-19-27)28-23-20(3)14-13-15-21(23)4/h7,9-10,13-17,24H,5-6,8,11-12,18-19H2,1-4H3,(H,28,29,35)/t24-/m0/s1

InChI Key

XYWMCELFJQKKIA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14807275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.52

Polar Surface Area

49.873

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with C905-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C905-0001?
Check Price and Availability of C905-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C905-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C905-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C905-0001
  • 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 C905-0001 available by request