K078-0047 Screening compound: methyl 3-{2-[(3Z)-5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate

K078-0047 Screening compound: methyl 3-{2-[(3Z)-5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate
K078-0047 Screening compound: methyl 3-{2-[(3Z)-5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K078-0047
methyl 3-{2-[(3Z)-5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate

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

K078-0047

Molecular Formula

C22H18BrN3O3S (C22 H18 BrN3 O3 S)

Compound Name

methyl 3-{2-[(3Z)-5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate

IUPAC name

methyl 3-{2-[(3Z)-5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate

SMILES

Cc1ccc(CN(c(ccc(Br)c2)c2/C2=N/Nc3c(C(OC)=O)scc3)C2=O)cc1

InChI

InChI=1S/C22H18BrN3O3S/c1-13-3-5-14(6-4-13)12-26-18-8-7-15(23)11-16(18)19(21(26)27)25-24-17-9-10-30-20(17)22(28)29-2/h3-11,24H,12H2,1-2H3

InChI Key

UXQZVQYJISGZSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

6.159

Water Solubility, LogSw

-5.46

Polar Surface Area

56.905

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K078-0047 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K078-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K078-0047?
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What is the minimum amount of K078-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K078-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K078-0047
  • 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 K078-0047 available by request