8006-2497 Screening compound: diethyl 2-{4,6-bis[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene]-1,3,5-triazinan-2-yliden}malonate

8006-2497 Screening compound: diethyl 2-{4,6-bis[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene]-1,3,5-triazinan-2-yliden}malonate
8006-2497 Screening compound: diethyl 2-{4,6-bis[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene]-1,3,5-triazinan-2-yliden}malonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2497
diethyl 2-{4,6-bis[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene]-1,3,5-triazinan-2-yliden}malonate

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

8006-2497

Molecular Formula

C24H33N3O12 (C24 H33 N3 O12)

Compound Name

diethyl 2-{4,6-bis[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene]-1,3,5-triazinan-2-yliden}malonate

IUPAC name

13-diethyl 2-[46-bis(13-diethoxy-13-dioxopropan-2-ylidene)-135-triazinan-2-ylidene]propanedioate

SMILES

CCOC(C(C(OCC)=O)=C(NC(N1)=C(C(OCC)=O)C(OCC)=O)NC1=C(C(OCC)=O)C(OCC)=O)=O

InChI

InChI=1S/C24H33N3O12/c1-7-34-19(28)13(20(29)35-8-2)16-25-17(14(21(30)36-9-3)22(31)37-10-4)27-18(26-16)15(23(32)38-11-5)24(33)39-12-6/h25-27H,7-12H2,1-6H3

InChI Key

CXLPQHRVFUIUIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00633127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.54

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

-9.052

Water Solubility, LogSw

-3.10

Polar Surface Area

156.741

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-13.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8006-2497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2497?
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What is the minimum amount of 8006-2497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2497
  • 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 8006-2497 available by request