3253-4638 Screening compound: 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide

3253-4638 Screening compound: 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide
3253-4638 Screening compound: 2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-4638
2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]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

3253-4638

Molecular Formula

C18H17N5O3S (C18 H17 N5 O3 S)

Compound Name

2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide

IUPAC name

2-[(1-methyl-1H-13-benzodiazol-2-yl)sulfanyl]-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide

SMILES

C/C(/c(cc1)ccc1[N+]([O-])=O)=N/NC(CSc1nc(cccc2)c2n1C)=O

InChI

InChI=1S/C18H17N5O3S/c1-12(13-7-9-14(10-8-13)23(25)26)20-21-17(24)11-27-18-19-15-5-3-4-6-16(15)22(18)2/h3-10H,11H2,1-2H3,(H,21,24)

InChI Key

WQAPJIVKOZDECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.79

Polar Surface Area

79.602

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3253-4638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-4638?
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What is the minimum amount of 3253-4638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-4638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-4638
  • 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 3253-4638 available by request