E018-0814 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

E018-0814 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide
E018-0814 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0814
N-{3-[benzyl(ethyl)amino]propyl}-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

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

E018-0814

Molecular Formula

C27H28ClN3OS (C27 H28 ClN3 OS)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

SMILES

CCN(CCCNC(c([nH]c1c2cccc1)c2Sc(cc1)ccc1Cl)=O)Cc1ccccc1

InChI

InChI=1S/C27H28ClN3OS/c1-2-31(19-20-9-4-3-5-10-20)18-8-17-29-27(32)25-26(23-11-6-7-12-24(23)30-25)33-22-15-13-21(28)14-16-22/h3-7,9-16,30H,2,8,17-19H2,1H3,(H,29,32)

InChI Key

XVTSZIHPYNVMMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.786

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-5.93

Polar Surface Area

38.028

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E018-0814 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with E018-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0814?
Check Price and Availability of E018-0814, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E018-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0814
  • 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 E018-0814 available by request