E864-0505 Screening compound: 6-chloro-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0505 Screening compound: 6-chloro-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0505 Screening compound: 6-chloro-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0505
6-chloro-N-(3,4-dimethylphenyl)-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

E864-0505

Molecular Formula

C27H26ClN3O (C27 H26 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(c2c(CC3)c(cc(cc4)Cl)c4[nH]2)N3C(Nc2cc(C)c(C)cc2)=O)cc1

InChI

InChI=1S/C27H26ClN3O/c1-16-4-7-19(8-5-16)26-25-22(23-15-20(28)9-11-24(23)30-25)12-13-31(26)27(32)29-21-10-6-17(2)18(3)14-21/h4-11,14-15,26,30H,12-13H2,1-3H3,(H,29,32)/t26-/m1/s1

InChI Key

USTLHFJGXVNWMU-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14924357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.98

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

7.496

Distribution Coefficient, logD

7.496

Water Solubility, LogSw

-6.51

Polar Surface Area

34.892

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E864-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0505?
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What is the minimum amount of E864-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0505
  • 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 E864-0505 available by request