E864-0546 Screening compound: 6-chloro-N-cyclopentyl-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0546 Screening compound: 6-chloro-N-cyclopentyl-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0546 Screening compound: 6-chloro-N-cyclopentyl-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0546
6-chloro-N-cyclopentyl-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

E864-0546

Molecular Formula

C24H26ClN3O (C24 H26 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(c2c(CC3)c(cc(cc4)Cl)c4[nH]2)N3C(NC2CCCC2)=O)cc1

InChI

InChI=1S/C24H26ClN3O/c1-15-6-8-16(9-7-15)23-22-19(20-14-17(25)10-11-21(20)27-22)12-13-28(23)24(29)26-18-4-2-3-5-18/h6-11,14,18,23,27H,2-5,12-13H2,1H3,(H,26,29)/t23-/m1/s1

InChI Key

HJMLLPGXYGHBDY-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14924377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.94

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.414

Distribution Coefficient, logD

6.414

Water Solubility, LogSw

-6.42

Polar Surface Area

36.306

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E864-0546 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E864-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0546?
Check Price and Availability of E864-0546, 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 E864-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0546
  • 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 E864-0546 available by request