K784-8285 Screening compound: ethyl 4-[({[(3Z)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}carbamothioyl)amino]benzoate

K784-8285 Screening compound: ethyl 4-[({[(3Z)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}carbamothioyl)amino]benzoate
K784-8285 Screening compound: ethyl 4-[({[(3Z)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}carbamothioyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8285
ethyl 4-[({[(3Z)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}carbamothioyl)amino]benzoate

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

K784-8285

Molecular Formula

C27H26N4O3S (C27 H26 N4 O3 S)

Compound Name

ethyl 4-[({[(3Z)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}carbamothioyl)amino]benzoate

IUPAC name

ethyl 4-[({[(3Z)-1-[(25-dimethylphenyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}carbamothioyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(N/N=C(/c(cccc1)c1N1Cc2c(C)ccc(C)c2)\C1=O)=S)=O

InChI

InChI=1S/C27H26N4O3S/c1-4-34-26(33)19-11-13-21(14-12-19)28-27(35)30-29-24-22-7-5-6-8-23(22)31(25(24)32)16-20-15-17(2)9-10-18(20)3/h5-15H,4,16H2,1-3H3,(H2,28,30,35)

InChI Key

PWYRPVCLYFWAQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.660

Distribution Coefficient, logD

6.660

Water Solubility, LogSw

-5.57

Polar Surface Area

66.074

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K784-8285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8285?
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What is the minimum amount of K784-8285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8285
  • 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 K784-8285 available by request