1495-0710 Screening compound: 4-{(Z)-1-[2,6-di(tert-butyl)-4-pyraniumyl]methylidene}-2-{[2,6-di(tert-butyl)-4H-pyran-4-yliden]methyl}-3-thioxo-1-cyclobutene-1-thiolate

1495-0710 Screening compound: 4-{(Z)-1-[2,6-di(tert-butyl)-4-pyraniumyl]methylidene}-2-{[2,6-di(tert-butyl)-4H-pyran-4-yliden]methyl}-3-thioxo-1-cyclobutene-1-thiolate
1495-0710 Screening compound: 4-{(Z)-1-[2,6-di(tert-butyl)-4-pyraniumyl]methylidene}-2-{[2,6-di(tert-butyl)-4H-pyran-4-yliden]methyl}-3-thioxo-1-cyclobutene-1-thiolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1495-0710
4-{(Z)-1-[2,6-di(tert-butyl)-4-pyraniumyl]methylidene}-2-{[2,6-di(tert-butyl)-4H-pyran-4-yliden]methyl}-3-thioxo-1-cyclobutene-1-thiolate

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

1495-0710

Molecular Formula

C32H42O2S2 (C32 H42 O2 S2)

Compound Name

4-{(Z)-1-[2,6-di(tert-butyl)-4-pyraniumyl]methylidene}-2-{[2,6-di(tert-butyl)-4H-pyran-4-yliden]methyl}-3-thioxo-1-cyclobutene-1-thiolate

IUPAC name

[(4Z)-4-[(26-di-tert-butyl-1lambda4-pyran-1-ylium-4-yl)methylidene]-2-[(26-di-tert-butyl-4H-pyran-4-ylidene)methyl]-3-sulfanylidenecyclobut-1-en-1-yl]sulfanide

SMILES

CC(C)(C)c1cc(/C=C2/C([S-])=C(C=C3C=C(C(C)(C)C)OC(C(C)(C)C)=C3)C2=S)cc(C(C)(C)C)[o+]1

InChI

InChI=1S/C32H42O2S2/c1-29(2,3)23-15-19(16-24(33-23)30(4,5)6)13-21-27(35)22(28(21)36)14-20-17-25(31(7,8)9)34-26(18-20)32(10,11)12/h13-18H,1-12H3

InChI Key

GRNOEXBLIFZYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00856687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.188

Distribution Coefficient, logD

9.188

Water Solubility, LogSw

-5.96

Polar Surface Area

17.468

Acid Dissociation Constant (pKa)

30.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1495-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1495-0710?
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What is the minimum amount of 1495-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1495-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1495-0710
  • 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 1495-0710 available by request