K078-0042 Screening compound: 2-{2-[(3Z)-1-[(4-bromophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid

K078-0042 Screening compound: 2-{2-[(3Z)-1-[(4-bromophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid
K078-0042 Screening compound: 2-{2-[(3Z)-1-[(4-bromophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K078-0042
2-{2-[(3Z)-1-[(4-bromophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid

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

K078-0042

Molecular Formula

C22H16BrN3O3 (C22 H16 BrN3 O3)

Compound Name

2-{2-[(3Z)-1-[(4-bromophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid

IUPAC name

2-{2-[(3Z)-1-[(4-bromophenyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid

SMILES

OC(c(cccc1)c1N/N=C(/c(cccc1)c1N1Cc(cc2)ccc2Br)\C1=O)=O

InChI

InChI=1S/C22H16BrN3O3/c23-15-11-9-14(10-12-15)13-26-19-8-4-2-6-17(19)20(21(26)27)25-24-18-7-3-1-5-16(18)22(28)29/h1-12,24H,13H2,(H,28,29)

InChI Key

YDRRLTDBAUMJLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.174

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-5.74

Polar Surface Area

63.121

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with K078-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K078-0042?
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What is the minimum amount of K078-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K078-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K078-0042
  • 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 K078-0042 available by request