E864-0031 Screening compound: N-(3-bromophenyl)-1-(2-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0031 Screening compound: N-(3-bromophenyl)-1-(2-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0031 Screening compound: N-(3-bromophenyl)-1-(2-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0031
N-(3-bromophenyl)-1-(2-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

E864-0031

Molecular Formula

C24H19BrFN3O (C24 H19 BrFN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1cccc(Br)c1)N(CCc1c2[nH]c3c1cccc3)C2c(cccc1)c1F

InChI

InChI=1S/C24H19BrFN3O/c25-15-6-5-7-16(14-15)27-24(30)29-13-12-18-17-8-2-4-11-21(17)28-22(18)23(29)19-9-1-3-10-20(19)26/h1-11,14,23,28H,12-13H2,(H,27,30)/t23-/m1/s1

InChI Key

ALTCKSTVLMDNGT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14924154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.34

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

6.235

Distribution Coefficient, logD

6.235

Water Solubility, LogSw

-6.25

Polar Surface Area

34.892

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

E864-0031 in Drug Discovery

Included in Screening Libraries

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 E864-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0031?
Check Price and Availability of E864-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E864-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0031
  • 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 E864-0031 available by request