K784-5154 Screening compound: 1-(2-methylphenyl)-3-{[(3Z)-1-[(4-methylphenyl)methyl]-5-(morpholine-4-sulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

K784-5154 Screening compound: 1-(2-methylphenyl)-3-{[(3Z)-1-[(4-methylphenyl)methyl]-5-(morpholine-4-sulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
K784-5154 Screening compound: 1-(2-methylphenyl)-3-{[(3Z)-1-[(4-methylphenyl)methyl]-5-(morpholine-4-sulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5154
1-(2-methylphenyl)-3-{[(3Z)-1-[(4-methylphenyl)methyl]-5-(morpholine-4-sulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

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

K784-5154

Molecular Formula

C28H29N5O4S2 (C28 H29 N5 O4 S2)

Compound Name

1-(2-methylphenyl)-3-{[(3Z)-1-[(4-methylphenyl)methyl]-5-(morpholine-4-sulfonyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

IUPAC name

1-(2-methylphenyl)-3-{[(3Z)-1-[(4-methylphenyl)methyl]-5-(morpholine-4-sulfonyl)-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

Cc1ccc(CN(c(ccc(S(N2CCOCC2)(=O)=O)c2)c2/C2=N/NC(Nc3c(C)cccc3)=S)C2=O)cc1

InChI

InChI=1S/C28H29N5O4S2/c1-19-7-9-21(10-8-19)18-33-25-12-11-22(39(35,36)32-13-15-37-16-14-32)17-23(25)26(27(33)34)30-31-28(38)29-24-6-4-3-5-20(24)2/h3-12,17H,13-16,18H2,1-2H3,(H2,29,31,38)

InChI Key

PFEVYXZJLOENIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.46

Polar Surface Area

84.242

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K784-5154 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-5154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5154?
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What is the minimum amount of K784-5154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5154
  • 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 K784-5154 available by request