K078-0029 Screening compound: methyl 3-{2-[(3Z)-1-[(4-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate

K078-0029 Screening compound: methyl 3-{2-[(3Z)-1-[(4-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}thiophene-2-carboxylate
K078-0029 Screening compound: methyl 3-{2-[(3Z)-1-[(4-fluorophenyl)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 K078-0029
methyl 3-{2-[(3Z)-1-[(4-fluorophenyl)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

K078-0029

Molecular Formula

C21H16FN3O3S (C21 H16 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(scc1)c1N/N=C(/c(cccc1)c1N1Cc(cc2)ccc2F)\C1=O)=O

InChI

InChI=1S/C21H16FN3O3S/c1-28-21(27)19-16(10-11-29-19)23-24-18-15-4-2-3-5-17(15)25(20(18)26)12-13-6-8-14(22)9-7-13/h2-11,23H,12H2,1H3

InChI Key

RDNXTBUBGJYFKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

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

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.57

Polar Surface Area

56.905

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K078-0029 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 K078-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K078-0029
  • 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 K078-0029 available by request