5511-0032 Screening compound: 3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one

5511-0032 Screening compound: 3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one
5511-0032 Screening compound: 3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0032
3-[(5Z)-2-[(4-chlorophenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-5-fluoro-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

5511-0032

Molecular Formula

C18H11ClFN3O2S (C18 H11 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(S/C1=C(/c(cc(cc2)F)c2N2)\C2=O)=NC1=O)c(cc1)ccc1Cl

InChI

InChI=1S/C18H11ClFN3O2S/c1-23(11-5-2-9(19)3-6-11)18-22-17(25)15(26-18)14-12-8-10(20)4-7-13(12)21-16(14)24/h2-8H,1H3,(H,21,24)

InChI Key

XFFZDIAJERPFCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.99

Polar Surface Area

49.559

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5511-0032 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5511-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 5511-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0032
  • 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 5511-0032 available by request