E864-0445 Screening compound: N-(3-bromophenyl)-6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0445 Screening compound: N-(3-bromophenyl)-6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0445 Screening compound: N-(3-bromophenyl)-6-chloro-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0445
N-(3-bromophenyl)-6-chloro-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

E864-0445

Molecular Formula

C24H18BrClFN3O (C24 H18 BrClFN3 O)

Compound Name

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

IUPAC name

N-(3-bromophenyl)-6-chloro-1-(4-fluorophenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carboxamide

SMILES

O=C(Nc1cccc(Br)c1)N(CCc1c2[nH]c(cc3)c1cc3Cl)C2c(cc1)ccc1F

InChI

InChI=1S/C24H18BrClFN3O/c25-15-2-1-3-18(12-15)28-24(31)30-11-10-19-20-13-16(26)6-9-21(20)29-22(19)23(30)14-4-7-17(27)8-5-14/h1-9,12-13,23,29H,10-11H2,(H,28,31)/t23-/m1/s1

InChI Key

FUXQOCBIJYTRGQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14924322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.78

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

6.923

Distribution Coefficient, logD

6.923

Water Solubility, LogSw

-6.73

Polar Surface Area

34.892

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with E864-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0445?
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What is the minimum amount of E864-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0445
  • 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 E864-0445 available by request