E864-1090 Screening compound: N-(4-bromophenyl)-1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-1090 Screening compound: N-(4-bromophenyl)-1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-1090 Screening compound: N-(4-bromophenyl)-1-(4-fluorophenyl)-6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-1090
N-(4-bromophenyl)-1-(4-fluorophenyl)-6-methoxy-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

E864-1090

Molecular Formula

C25H21BrFN3O2 (C25 H21 BrFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1[nH]c(C1c(cc3)ccc3F)c2CCN1C(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C25H21BrFN3O2/c1-32-19-10-11-22-21(14-19)20-12-13-30(25(31)28-18-8-4-16(26)5-9-18)24(23(20)29-22)15-2-6-17(27)7-3-15/h2-11,14,24,29H,12-13H2,1H3,(H,28,31)/t24-/m1/s1

InChI Key

FUMQKISSEOMGRV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14924416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.296

Distribution Coefficient, logD

6.296

Water Solubility, LogSw

-5.67

Polar Surface Area

42.436

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

E864-1090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 E864-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-1090?
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What is the minimum amount of E864-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-1090
  • 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 E864-1090 available by request