F588-0135 Screening compound: 1-[(4-chlorophenyl)methyl]-3-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indole

F588-0135 Screening compound: 1-[(4-chlorophenyl)methyl]-3-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indole
F588-0135 Screening compound: 1-[(4-chlorophenyl)methyl]-3-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0135
1-[(4-chlorophenyl)methyl]-3-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indole

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

F588-0135

Molecular Formula

C26H26ClN3O3S (C26 H26 ClN3 O3 S)

Compound Name

1-[(4-chlorophenyl)methyl]-3-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methyl-1H-indole

IUPAC name

1-[(4-chlorophenyl)methyl]-3-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-1236-tetrahydropyridin-4-yl}-2-methyl-1H-indole

SMILES

Cc(n(Cc(cc1)ccc1Cl)c1c2cccc1)c2C(CC1)=CCN1S(c1c(C)onc1C)(=O)=O

InChI

InChI=1S/C26H26ClN3O3S/c1-17-26(19(3)33-28-17)34(31,32)29-14-12-21(13-15-29)25-18(2)30(24-7-5-4-6-23(24)25)16-20-8-10-22(27)11-9-20/h4-12H,13-16H2,1-3H3

InChI Key

LHHPXNSASPDXLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-6.12

Polar Surface Area

54.917

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F588-0135 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F588-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0135?
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What is the minimum amount of F588-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0135
  • 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 F588-0135 available by request