E598-0229 Screening compound: 1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-2,3-dihydro-1H-indole

E598-0229 Screening compound: 1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-2,3-dihydro-1H-indole
E598-0229 Screening compound: 1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0229
1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-2,3-dihydro-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

E598-0229

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-2,3-dihydro-1H-indole

IUPAC name

1-{1-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]piperidine-3-carbonyl}-23-dihydro-1H-indole

SMILES

COc(cc1)ccc1-c1noc(N(CCC2)CC2C(N(CC2)c3c2cccc3)=O)n1

InChI

InChI=1S/C23H24N4O3/c1-29-19-10-8-17(9-11-19)21-24-23(30-25-21)26-13-4-6-18(15-26)22(28)27-14-12-16-5-2-3-7-20(16)27/h2-3,5,7-11,18H,4,6,12-15H2,1H3/t18-/m0/s1

InChI Key

QJRKBEQCPAWEPB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14902520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.21

Polar Surface Area

58.596

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

E598-0229 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 E598-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0229?
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What is the minimum amount of E598-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0229
  • 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 E598-0229 available by request