D040-0395 Screening compound: ethyl 8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate

D040-0395 Screening compound: ethyl 8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
D040-0395 Screening compound: ethyl 8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D040-0395
ethyl 8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-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

D040-0395

Molecular Formula

C26H23N3O2S2 (C26 H23 N3 O2 S2)

Compound Name

ethyl 8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate

IUPAC name

ethyl 8-methyl-139-triphenyl-46-dithia-129-triazaspiro[4.4]nona-27-diene-7-carboxylate

SMILES

CCOC(C(SC12SC(c3ccccc3)=NN1c1ccccc1)=C(C)N2c1ccccc1)=O

InChI

InChI=1S/C26H23N3O2S2/c1-3-31-25(30)23-19(2)28(21-15-9-5-10-16-21)26(32-23)29(22-17-11-6-12-18-22)27-24(33-26)20-13-7-4-8-14-20/h4-18H,3H2,1-2H3/t26-/m0/s1

InChI Key

OJJJVJOEJBHYPI-SANMLTNESA-N

MDL Number (MFCD)

MFCD03614846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.317

Distribution Coefficient, logD

6.317

Water Solubility, LogSw

-5.62

Polar Surface Area

35.938

Acid Dissociation Constant (pKa)

29.57

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with D040-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D040-0395?
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What is the minimum amount of D040-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D040-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D040-0395
  • 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 D040-0395 available by request