E864-0522 Screening compound: 6-chloro-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0522 Screening compound: 6-chloro-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0522 Screening compound: 6-chloro-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0522
6-chloro-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]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

E864-0522

Molecular Formula

C27H26ClN3O2 (C27 H26 ClN3 O2)

Compound Name

6-chloro-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

IUPAC name

6-chloro-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carboxamide

SMILES

CCOc(cc1)ccc1NC(N(CCc1c2[nH]c(cc3)c1cc3Cl)C2c1ccc(C)cc1)=O

InChI

InChI=1S/C27H26ClN3O2/c1-3-33-21-11-9-20(10-12-21)29-27(32)31-15-14-22-23-16-19(28)8-13-24(23)30-25(22)26(31)18-6-4-17(2)5-7-18/h4-13,16,26,30H,3,14-15H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

PFSNIKIXHVAUNU-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14924368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.878

Distribution Coefficient, logD

6.878

Water Solubility, LogSw

-6.44

Polar Surface Area

42.016

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E864-0522 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 E864-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0522?
Check Price and Availability of E864-0522, 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 E864-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0522
  • 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 E864-0522 available by request