E864-1198 Screening compound: N-[(4-fluorophenyl)methyl]-6-methoxy-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-1198 Screening compound: N-[(4-fluorophenyl)methyl]-6-methoxy-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-1198 Screening compound: N-[(4-fluorophenyl)methyl]-6-methoxy-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-1198
N-[(4-fluorophenyl)methyl]-6-methoxy-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

E864-1198

Molecular Formula

C27H26FN3O2 (C27 H26 FN3 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-6-methoxy-1-(4-methylphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-6-methoxy-1-(4-methylphenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)c(cc(cc4)OC)c4[nH]2)N3C(NCc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C27H26FN3O2/c1-17-3-7-19(8-4-17)26-25-22(23-15-21(33-2)11-12-24(23)30-25)13-14-31(26)27(32)29-16-18-5-9-20(28)10-6-18/h3-12,15,26,30H,13-14,16H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

KQCRQSBULFKCOX-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14924466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

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

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-5.59

Polar Surface Area

43.758

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E864-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-1198?
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What is the minimum amount of E864-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-1198
  • 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 E864-1198 available by request