3269-0452 Screening compound: N'-[(E)-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide

3269-0452 Screening compound: N'-[(E)-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide
3269-0452 Screening compound: N'-[(E)-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0452
N'-[(E)-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide

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

3269-0452

Molecular Formula

C30H26N6O3S (C30 H26 N6 O3 S)

Compound Name

N'-[(E)-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzohydrazide

IUPAC name

N'-[(E)-[25-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene]-4-[(4-phenyl-13-thiazol-2-yl)amino]benzohydrazide

SMILES

Cc1cc(/C=N/NC(c(cc2)ccc2Nc2nc(-c3ccccc3)cs2)=O)c(C)n1-c(cc1)c(C)cc1[N+]([O-])=O

InChI

InChI=1S/C30H26N6O3S/c1-19-15-26(36(38)39)13-14-28(19)35-20(2)16-24(21(35)3)17-31-34-29(37)23-9-11-25(12-10-23)32-30-33-27(18-40-30)22-7-5-4-6-8-22/h4-18H,1-3H3,(H,32,33)(H,34,37)

InChI Key

VMWLHIJSZBWVEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.662

Distribution Coefficient, logD

7.657

Water Solubility, LogSw

-5.72

Polar Surface Area

89.987

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3269-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0452?
Check Price and Availability of 3269-0452, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3269-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0452
  • 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 3269-0452 available by request