E018-0628 Screening compound: 8-{3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

E018-0628 Screening compound: 8-{3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
E018-0628 Screening compound: 8-{3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0628
8-{3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

E018-0628

Molecular Formula

C22H21ClN2O3S (C22 H21 ClN2 O3 S)

Compound Name

8-{3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c([nH]c1c2cccc1)c2Sc(cc1)ccc1Cl)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H21ClN2O3S/c23-15-5-7-16(8-6-15)29-20-17-3-1-2-4-18(17)24-19(20)21(26)25-11-9-22(10-12-25)27-13-14-28-22/h1-8,24H,9-14H2

InChI Key

WUWJZBFFBJBVLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.51

Polar Surface Area

41.172

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E018-0628 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E018-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0628?
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What is the minimum amount of E018-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0628
  • 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 E018-0628 available by request