3253-4829 Screening compound: 2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]acetohydrazide

3253-4829 Screening compound: 2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]acetohydrazide
3253-4829 Screening compound: 2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-4829
2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]acetohydrazide

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

3253-4829

Molecular Formula

C31H28N4O3S (C31 H28 N4 O3 S)

Compound Name

2-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]acetohydrazide

IUPAC name

2-[(1-benzyl-1H-13-benzodiazol-2-yl)sulfanyl]-N'-[(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene]acetohydrazide

SMILES

COc(cc(/C=N/NC(CSc1nc(cccc2)c2n1Cc1ccccc1)=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C31H28N4O3S/c1-37-29-18-25(16-17-28(29)38-21-24-12-6-3-7-13-24)19-32-34-30(36)22-39-31-33-26-14-8-9-15-27(26)35(31)20-23-10-4-2-5-11-23/h2-19H,20-22H2,1H3,(H,34,36)

InChI Key

LSBRVLNOKPQXIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.326

Distribution Coefficient, logD

6.326

Water Solubility, LogSw

-5.54

Polar Surface Area

60.796

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with 3253-4829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-4829?
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What is the minimum amount of 3253-4829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-4829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-4829
  • 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 3253-4829 available by request