E864-0458 Screening compound: 6-chloro-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0458 Screening compound: 6-chloro-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0458 Screening compound: 6-chloro-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0458
6-chloro-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-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

E864-0458

Molecular Formula

C26H23ClFN3O3 (C26 H23 ClFN3 O3)

Compound Name

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

IUPAC name

6-chloro-N-(24-dimethoxyphenyl)-1-(4-fluorophenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(N(CCc1c2[nH]c(cc3)c1cc3Cl)C2c(cc1)ccc1F)=O

InChI

InChI=1S/C26H23ClFN3O3/c1-33-18-8-10-22(23(14-18)34-2)30-26(32)31-12-11-19-20-13-16(27)5-9-21(20)29-24(19)25(31)15-3-6-17(28)7-4-15/h3-10,13-14,25,29H,11-12H2,1-2H3,(H,30,32)/t25-/m1/s1

InChI Key

FWPLPROUQWTIIB-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14924331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.256

Distribution Coefficient, logD

6.256

Water Solubility, LogSw

-6.39

Polar Surface Area

49.369

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

E864-0458 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E864-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0458?
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What is the minimum amount of E864-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0458
  • 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 E864-0458 available by request