3229-1008 Screening compound: 4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-nitrobenzoate

3229-1008 Screening compound: 4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-nitrobenzoate
3229-1008 Screening compound: 4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1008
4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-nitrobenzoate

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

3229-1008

Molecular Formula

C22H16N4O5S (C22 H16 N4 O5 S)

Compound Name

4-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-nitrobenzoate

IUPAC name

4-[(E)-[2-(13-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-2-methoxyphenyl 4-nitrobenzoate

SMILES

COc(cc(/C=N/Nc1nc(cccc2)c2s1)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C22H16N4O5S/c1-30-19-12-14(13-23-25-22-24-17-4-2-3-5-20(17)32-22)6-11-18(19)31-21(27)15-7-9-16(10-8-15)26(28)29/h2-13H,1H3,(H,24,25)

InChI Key

MURKFWRZHBTQRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.625

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.63

Polar Surface Area

92.613

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3229-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1008?
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What is the minimum amount of 3229-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1008
  • 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 3229-1008 available by request