8004-2222 Screening compound: 2-{[(E)-2-((Z)-1-{3,7-bis[(4-methylphenyl)sulfonyl]-1,3,7-triazabicyclo[3.3.1]non-5-yl}-1-phenylmethylidene)hydrazono]methyl}-4,6-dibromophenol

8004-2222 Screening compound: 2-{[(E)-2-((Z)-1-{3,7-bis[(4-methylphenyl)sulfonyl]-1,3,7-triazabicyclo[3.3.1]non-5-yl}-1-phenylmethylidene)hydrazono]methyl}-4,6-dibromophenol
8004-2222 Screening compound: 2-{[(E)-2-((Z)-1-{3,7-bis[(4-methylphenyl)sulfonyl]-1,3,7-triazabicyclo[3.3.1]non-5-yl}-1-phenylmethylidene)hydrazono]methyl}-4,6-dibromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2222
2-{[(E)-2-((Z)-1-{3,7-bis[(4-methylphenyl)sulfonyl]-1,3,7-triazabicyclo[3.3.1]non-5-yl}-1-phenylmethylidene)hydrazono]methyl}-4,6-dibromophenol

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

8004-2222

Molecular Formula

C34H33Br2N5O5S2 (C34 H33 Br2 N5 O5 S2)

Compound Name

2-{[(E)-2-((Z)-1-{3,7-bis[(4-methylphenyl)sulfonyl]-1,3,7-triazabicyclo[3.3.1]non-5-yl}-1-phenylmethylidene)hydrazono]methyl}-4,6-dibromophenol

IUPAC name

2-[(E)-[(2Z)-2-{[37-bis(4-methylbenzenesulfonyl)-137-triazabicyclo[3.3.1]nonan-5-yl](phenyl)methylidene}hydrazin-1-ylidene]methyl]-46-dibromophenol

SMILES

Cc(cc1)ccc1S(N(CC(C1)(C2)/C(/c3ccccc3)=N\N=C\c3cc(Br)cc(Br)c3O)CN1CN2S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C34H33Br2N5O5S2/c1-24-8-12-29(13-9-24)47(43,44)40-20-34(19-39(22-40)23-41(21-34)48(45,46)30-14-10-25(2)11-15-30)33(26-6-4-3-5-7-26)38-37-18-27-16-28(35)17-31(36)32(27)42/h3-18,42H,19-23H2,1-2H3

InChI Key

WUIFFMMVFGXPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00738636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

815.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.960

Distribution Coefficient, logD

7.875

Water Solubility, LogSw

-5.61

Polar Surface Area

102.076

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with 8004-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2222?
Check Price and Availability of 8004-2222, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2222
  • 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 8004-2222 available by request