D040-0040 Screening compound: 3,7-dimethyl 1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate

D040-0040 Screening compound: 3,7-dimethyl 1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
D040-0040 Screening compound: 3,7-dimethyl 1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D040-0040
3,7-dimethyl 1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate

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

D040-0040

Molecular Formula

C17H19N3O5S2 (C17 H19 N3 O5 S2)

Compound Name

3,7-dimethyl 1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate

IUPAC name

37-dimethyl 1-(4-methoxyphenyl)-89-dimethyl-46-dithia-129-triazaspiro[4.4]nona-27-diene-37-dicarboxylate

SMILES

CC(N1C)=C(C(OC)=O)SC11SC(C(OC)=O)=NN1c(cc1)ccc1OC

InChI

InChI=1S/C17H19N3O5S2/c1-10-13(15(21)24-4)26-17(19(10)2)20(18-14(27-17)16(22)25-5)11-6-8-12(23-3)9-7-11/h6-9H,1-5H3/t17-/m0/s1

InChI Key

CXNSRXZCFSHVEX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04222893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.30

Polar Surface Area

65.996

Acid Dissociation Constant (pKa)

30.57

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D040-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D040-0040?
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What is the minimum amount of D040-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D040-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D040-0040
  • 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 D040-0040 available by request