8008-7817 Screening compound: tert-butyl 2-[(2E,4E,6E)-4,6-bis[1-(tert-butoxy)-1,3-dioxobutan-2-ylidene]-1,3,5-triazinan-2-ylidene]-3-oxobutanoate

8008-7817 Screening compound: tert-butyl 2-[(2E,4E,6E)-4,6-bis[1-(tert-butoxy)-1,3-dioxobutan-2-ylidene]-1,3,5-triazinan-2-ylidene]-3-oxobutanoate
8008-7817 Screening compound: tert-butyl 2-[(2E,4E,6E)-4,6-bis[1-(tert-butoxy)-1,3-dioxobutan-2-ylidene]-1,3,5-triazinan-2-ylidene]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7817
tert-butyl 2-[(2E,4E,6E)-4,6-bis[1-(tert-butoxy)-1,3-dioxobutan-2-ylidene]-1,3,5-triazinan-2-ylidene]-3-oxobutanoate

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

8008-7817

Molecular Formula

C27H39N3O9 (C27 H39 N3 O9)

Compound Name

tert-butyl 2-[(2E,4E,6E)-4,6-bis[1-(tert-butoxy)-1,3-dioxobutan-2-ylidene]-1,3,5-triazinan-2-ylidene]-3-oxobutanoate

IUPAC name

tert-butyl 2-[(2E4E6E)-46-bis[1-(tert-butoxy)-13-dioxobutan-2-ylidene]-135-triazinan-2-ylidene]-3-oxobutanoate

SMILES

CC(C)(C)OC(/C(/C(C)=O)=C(\N/C(/N1)=C(\C(C)=O)/C(OC(C)(C)C)=O)/N/C1=C(/C(C)=O)\C(OC(C)(C)C)=O)=O

InChI

InChI=1S/C27H39N3O9/c1-13(31)16(22(34)37-25(4,5)6)19-28-20(17(14(2)32)23(35)38-26(7,8)9)30-21(29-19)18(15(3)33)24(36)39-27(10,11)12/h28-30H,1-12H3

InChI Key

DKDZOIGTTFKJDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01459944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.62

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

-7.879

Water Solubility, LogSw

-3.34

Polar Surface Area

133.289

Acid Dissociation Constant (pKa)

4.95

Base Dissociation Constant (pKb)

-12.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 8008-7817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7817?
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What is the minimum amount of 8008-7817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7817
  • 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 8008-7817 available by request