D040-0298 Screening compound: ethyl 3-acetyl-9-methyl-1-phenyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate

D040-0298 Screening compound: ethyl 3-acetyl-9-methyl-1-phenyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
D040-0298 Screening compound: ethyl 3-acetyl-9-methyl-1-phenyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D040-0298
ethyl 3-acetyl-9-methyl-1-phenyl-8-propyl-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

D040-0298

Molecular Formula

C19H23N3O3S2 (C19 H23 N3 O3 S2)

Compound Name

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

IUPAC name

ethyl 3-acetyl-9-methyl-1-phenyl-8-propyl-46-dithia-129-triazaspiro[4.4]nona-27-diene-7-carboxylate

SMILES

CCCC(N1C)=C(C(OCC)=O)SC11SC(C(C)=O)=NN1c1ccccc1

InChI

InChI=1S/C19H23N3O3S2/c1-5-10-15-16(18(24)25-6-2)26-19(21(15)4)22(14-11-8-7-9-12-14)20-17(27-19)13(3)23/h7-9,11-12H,5-6,10H2,1-4H3/t19-/m0/s1

InChI Key

BEDNHACCBGVFFQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14811366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.08

Polar Surface Area

51.047

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with D040-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D040-0298?
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What is the minimum amount of D040-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D040-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D040-0298
  • 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 D040-0298 available by request