K017-0049 Screening compound: N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide

K017-0049 Screening compound: N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
K017-0049 Screening compound: N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K017-0049
N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide

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

K017-0049

Molecular Formula

C18H12BrN5O2 (C18 H12 BrN5 O2)

Compound Name

N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(3E)-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide

SMILES

O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C(\c(cc(cc1)Br)c1N1)/C1=O

InChI

InChI=1S/C18H12BrN5O2/c19-11-6-7-13-12(8-11)16(18(26)20-13)23-24-17(25)15-9-14(21-22-15)10-4-2-1-3-5-10/h1-9H,(H,21,22)(H,24,25)(H,20,23,26)

InChI Key

NKIBDOCQMMDBQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.29

Polar Surface Area

81.854

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K017-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K017-0049?
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What is the minimum amount of K017-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K017-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K017-0049
  • 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 K017-0049 available by request