D040-0024 Screening compound: ethyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate

D040-0024 Screening compound: ethyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
D040-0024 Screening compound: ethyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D040-0024
ethyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-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

D040-0024

Molecular Formula

C18H21N3O3S2 (C18 H21 N3 O3 S2)

Compound Name

ethyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate

IUPAC name

ethyl 7-acetyl-89-dimethyl-1-(3-methylphenyl)-46-dithia-129-triazaspiro[4.4]nona-27-diene-3-carboxylate

SMILES

CCOC(C(SC12SC(C(C)=O)=C(C)N2C)=NN1c1cc(C)ccc1)=O

InChI

InChI=1S/C18H21N3O3S2/c1-6-24-17(23)16-19-21(14-9-7-8-11(2)10-14)18(26-16)20(5)12(3)15(25-18)13(4)22/h7-10H,6H2,1-5H3/t18-/m0/s1

InChI Key

CSFZDOUTXJFVPI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04222868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-3.83

Polar Surface Area

50.685

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D040-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D040-0024?
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What is the minimum amount of D040-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D040-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D040-0024
  • 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 D040-0024 available by request