K784-4810 Screening compound: 1-(2,5-dimethylphenyl)-3-{[(3Z)-5-(morpholine-4-sulfonyl)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

K784-4810 Screening compound: 1-(2,5-dimethylphenyl)-3-{[(3Z)-5-(morpholine-4-sulfonyl)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
K784-4810 Screening compound: 1-(2,5-dimethylphenyl)-3-{[(3Z)-5-(morpholine-4-sulfonyl)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4810
1-(2,5-dimethylphenyl)-3-{[(3Z)-5-(morpholine-4-sulfonyl)-2-oxo-1-(prop-2-en-1-yl)-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

K784-4810

Molecular Formula

C24H27N5O4S2 (C24 H27 N5 O4 S2)

Compound Name

1-(2,5-dimethylphenyl)-3-{[(3Z)-5-(morpholine-4-sulfonyl)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

IUPAC name

1-(25-dimethylphenyl)-3-{[(3Z)-5-(morpholine-4-sulfonyl)-2-oxo-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

Cc1cc(NC(N/N=C(/c(cc(cc2)S(N3CCOCC3)(=O)=O)c2N2CC=C)\C2=O)=S)c(C)cc1

InChI

InChI=1S/C24H27N5O4S2/c1-4-9-29-21-8-7-18(35(31,32)28-10-12-33-13-11-28)15-19(21)22(23(29)30)26-27-24(34)25-20-14-16(2)5-6-17(20)3/h4-8,14-15H,1,9-13H2,2-3H3,(H2,25,27,34)

InChI Key

HTWYAFIFSKMTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

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

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.84

Polar Surface Area

84.492

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K784-4810 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-4810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4810?
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What is the minimum amount of K784-4810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4810
  • 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 K784-4810 available by request