3229-0953 Screening compound: 2-[(2E)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl]-1,3-benzothiazole

3229-0953 Screening compound: 2-[(2E)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl]-1,3-benzothiazole
3229-0953 Screening compound: 2-[(2E)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0953
2-[(2E)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl]-1,3-benzothiazole

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

3229-0953

Molecular Formula

C21H15N5O6S (C21 H15 N5 O6 S)

Compound Name

2-[(2E)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl]-1,3-benzothiazole

IUPAC name

2-[(2E)-2-{[4-(24-dinitrophenoxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl]-13-benzothiazole

SMILES

COc(cc(/C=N/Nc1nc(cccc2)c2s1)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H15N5O6S/c1-31-19-10-13(12-22-24-21-23-15-4-2-3-5-20(15)33-21)6-8-18(19)32-17-9-7-14(25(27)28)11-16(17)26(29)30/h2-12H,1H3,(H,23,24)

InChI Key

BDFWCGUATAKYNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01008634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.726

Water Solubility, LogSw

-5.62

Polar Surface Area

112.150

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 3229-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0953?
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What is the minimum amount of 3229-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0953
  • 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 3229-0953 available by request