5511-0042 Screening compound: 3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-7-ethyl-2,3-dihydro-1H-indol-2-one

5511-0042 Screening compound: 3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-7-ethyl-2,3-dihydro-1H-indol-2-one
5511-0042 Screening compound: 3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-7-ethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0042
3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-7-ethyl-2,3-dihydro-1H-indol-2-one

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

5511-0042

Molecular Formula

C20H16ClN3O2S (C20 H16 ClN3 O2 S)

Compound Name

3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-7-ethyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-45-dihydro-13-thiazol-5-ylidene]-7-ethyl-23-dihydro-1H-indol-2-one

SMILES

CCc1cccc(/C2=C3/SC(N(C)c(cc4)ccc4Cl)=NC3=O)c1NC2=O

InChI

InChI=1S/C20H16ClN3O2S/c1-3-11-5-4-6-14-15(18(25)22-16(11)14)17-19(26)23-20(27-17)24(2)13-9-7-12(21)8-10-13/h4-10H,3H2,1-2H3,(H,22,25)

InChI Key

YLZAEWRKQABHQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04230785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.19

Polar Surface Area

47.307

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5511-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0042?
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What is the minimum amount of 5511-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0042
  • 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 5511-0042 available by request