2235-0415 Screening compound: N-({N'-[(3E)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-fluorobenzamide

2235-0415 Screening compound: N-({N'-[(3E)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-fluorobenzamide
2235-0415 Screening compound: N-({N'-[(3E)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2235-0415
N-({N'-[(3E)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-fluorobenzamide

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

2235-0415

Molecular Formula

C25H19FN4O5 (C25 H19 FN4 O5)

Compound Name

N-({N'-[(3E)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-fluorobenzamide

IUPAC name

N-({N'-[(3E)-1-[(2H-13-benzodioxol-5-yl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-fluorobenzamide

SMILES

O=C(CNC(c(cccc1)c1F)=O)N/N=C(\c(cccc1)c1N1Cc(cc2)cc3c2OCO3)/C1=O

InChI

InChI=1S/C25H19FN4O5/c26-18-7-3-1-5-16(18)24(32)27-12-22(31)28-29-23-17-6-2-4-8-19(17)30(25(23)33)13-15-9-10-20-21(11-15)35-14-34-20/h1-11H,12-14H2,(H,27,32)(H,28,31)

InChI Key

GTPBOQWVOHKVIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.17

Polar Surface Area

91.176

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 2235-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2235-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2235-0415
  • 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 2235-0415 available by request