F059-1274 Screening compound: 3-cyclopentylidene-1-methyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one

F059-1274 Screening compound: 3-cyclopentylidene-1-methyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one
F059-1274 Screening compound: 3-cyclopentylidene-1-methyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F059-1274
3-cyclopentylidene-1-methyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-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

F059-1274

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

3-cyclopentylidene-1-methyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one

IUPAC name

3-cyclopentylidene-1-methyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-indol-2-one

SMILES

CC(CN(CC1)S(c(cc2)cc(C3=C4CCCC4)c2N(C)C3=O)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C26H31N3O3S/c1-18-7-6-10-21(15-18)29-14-13-28(17-19(29)2)33(31,32)22-11-12-24-23(16-22)25(26(30)27(24)3)20-8-4-5-9-20/h6-7,10-12,15-16,19H,4-5,8-9,13-14,17H2,1-3H3/t19-/m0/s1

InChI Key

BEYKTMULKMDYPY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27097529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.30

Polar Surface Area

50.221

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

F059-1274 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 F059-1274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F059-1274?
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What is the minimum amount of F059-1274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F059-1274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F059-1274
  • 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 F059-1274 available by request