3229-0975 Screening compound: 3-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 3,5-dinitrobenzoate

3229-0975 Screening compound: 3-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 3,5-dinitrobenzoate
3229-0975 Screening compound: 3-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0975
3-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 3,5-dinitrobenzoate

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

3229-0975

Molecular Formula

C21H13N5O6S (C21 H13 N5 O6 S)

Compound Name

3-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

3-[(E)-[2-(13-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2cccc(/C=N/Nc3nc(cccc4)c4s3)c2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C21H13N5O6S/c27-20(14-9-15(25(28)29)11-16(10-14)26(30)31)32-17-5-3-4-13(8-17)12-22-24-21-23-18-6-1-2-7-19(18)33-21/h1-12H,(H,23,24)

InChI Key

MXLMAJHEEJMFOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.49

Polar Surface Area

118.278

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3229-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0975?
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What is the minimum amount of 3229-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0975
  • 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 3229-0975 available by request