8008-7753 Screening compound: 3-({(E)-2-[(Z)-1-(4-chlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]hydrazono}methyl)phenyl methyl ether

8008-7753 Screening compound: 3-({(E)-2-[(Z)-1-(4-chlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]hydrazono}methyl)phenyl methyl ether
8008-7753 Screening compound: 3-({(E)-2-[(Z)-1-(4-chlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]hydrazono}methyl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7753
3-({(E)-2-[(Z)-1-(4-chlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]hydrazono}methyl)phenyl methyl ether

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

8008-7753

Molecular Formula

C22H24ClN5O (C22 H24 ClN5 O)

Compound Name

3-({(E)-2-[(Z)-1-(4-chlorophenyl)-1-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]hydrazono}methyl)phenyl methyl ether

IUPAC name

7-[(Z)-(4-chlorophenyl)[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazin-1-ylidene]methyl]-135-triazatricyclo[3.3.1.1^{37}]decane

SMILES

COc1cccc(/C=N/N=C(\C(C2)(C3)CN4CN3CN2C4)/c(cc2)ccc2Cl)c1

InChI

InChI=1S/C22H24ClN5O/c1-29-20-4-2-3-17(9-20)10-24-25-21(18-5-7-19(23)8-6-18)22-11-26-14-27(12-22)16-28(13-22)15-26/h2-10H,11-16H2,1H3

InChI Key

PIMJTOHYTNQBGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01459933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-4.51

Polar Surface Area

38.256

Acid Dissociation Constant (pKa)

31.52

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8008-7753 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-7753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7753?
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What is the minimum amount of 8008-7753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7753
  • 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 8008-7753 available by request