L259-0938 Screening compound: ethyl 1-(2-{2-[(3-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetyl)piperidine-3-carboxylate

L259-0938 Screening compound: ethyl 1-(2-{2-[(3-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetyl)piperidine-3-carboxylate
L259-0938 Screening compound: ethyl 1-(2-{2-[(3-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L259-0938
ethyl 1-(2-{2-[(3-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetyl)piperidine-3-carboxylate

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

L259-0938

Molecular Formula

C24H25FN2O3S (C24 H25 FN2 O3 S)

Compound Name

ethyl 1-(2-{2-[(3-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-{2-[(3-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(Cc(c(cccc1)c1[nH]1)c1Sc1cc(F)ccc1)=O)=O

InChI

InChI=1S/C24H25FN2O3S/c1-2-30-24(29)16-7-6-12-27(15-16)22(28)14-20-19-10-3-4-11-21(19)26-23(20)31-18-9-5-8-17(25)13-18/h3-5,8-11,13,16,26H,2,6-7,12,14-15H2,1H3/t16-/m0/s1

InChI Key

AEERDVIMGIKAAV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15121215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.37

Polar Surface Area

46.255

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L259-0938 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L259-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L259-0938?
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What is the minimum amount of L259-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L259-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L259-0938
  • 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 L259-0938 available by request