E018-1722 Screening compound: 2-(azepane-1-carbonyl)-6-methoxy-3-(phenylsulfanyl)-1H-indole

E018-1722 Screening compound: 2-(azepane-1-carbonyl)-6-methoxy-3-(phenylsulfanyl)-1H-indole
E018-1722 Screening compound: 2-(azepane-1-carbonyl)-6-methoxy-3-(phenylsulfanyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-1722
2-(azepane-1-carbonyl)-6-methoxy-3-(phenylsulfanyl)-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

E018-1722

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

2-(azepane-1-carbonyl)-6-methoxy-3-(phenylsulfanyl)-1H-indole

IUPAC name

2-(azepane-1-carbonyl)-6-methoxy-3-(phenylsulfanyl)-1H-indole

SMILES

COc(cc1)cc2c1c(Sc1ccccc1)c(C(N1CCCCCC1)=O)[nH]2

InChI

InChI=1S/C22H24N2O2S/c1-26-16-11-12-18-19(15-16)23-20(21(18)27-17-9-5-4-6-10-17)22(25)24-13-7-2-3-8-14-24/h4-6,9-12,15,23H,2-3,7-8,13-14H2,1H3

InChI Key

WHWJAHRDEUHYHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-4.74

Polar Surface Area

34.610

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E018-1722 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E018-1722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-1722?
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What is the minimum amount of E018-1722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-1722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-1722
  • 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 E018-1722 available by request